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101667-97-4,MFCD31714809
Catalog No.:AA000519
101667-97-4 | 5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
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Technical Information
Catalog Number:
AA000519
Chemical Name:
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
101667-97-4
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD31714809
IUPAC Name:
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
CYNGLBSDKJIAOD-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1C)c(=O)nc[nH]2
NSC Number:
723454
Properties
Computed Properties
 
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
101667-97-4 
5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid 
ACMC-20biv9 
AC1L8POQ 
AC1Q5UIN 
AC1Q2GJ7 
TimTec1_008104 
SCHEMBL263739 
CTK4A0072 
DTXSID50328084 
HMS1557A08 
thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-hydroxy-5-methyl- 
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid 
ZINC8914169 
0434AA 
ANW-61206 
BBL008312 
BDBM50162485 
MFCD00463620 
SBB014042 
STK392444 
STK607499 
AKOS000271321 
CYNGLBSDKJIAOD-UHFFFAOYSA-N 
AKOS005543466 
CCG-125304 
MCULE-7344122869 
NSC-723454 
AJ-70706 
AS-41582 
BAS 01026299 
AB0080174 
DB-058636 
BB 0219079 
CHEMBL1965658 
FT-0677186 
EN300-05849 
VU0421942-2 
Y-4685 
AB00683643-01 
667M974 
SR-01000368658 
I03-1027 
SR-01000368658-1 
BRD-K38817857-001-02-8 
5-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acid 
5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid 
F3250-0612 
5-Methyl-4-hydroxythieno[2,3-d]pyrimidine-6-carboxylic acid 
5-methyl-3,4-dihydrothieno[2,3-d]pyrimid-4-one-6-carboxylic acid 
5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid 
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid 
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo- 
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 3,4-dihydro-5-methyl-4-oxo- 
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, AldrichCPR 
C8H6N2O3S 
4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid 
AR-1L6731 
CID405802 
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylicacid 
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylicacid 
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid, 97% - 250mg 250mg 
10175-15-2 
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 
7-Methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-triene-8-carboxylate 
NSC723454 
Literature

Title: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.

Journal: Journal of medicinal chemistry 20160324

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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