AG000541

101667-97-4 | Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-

AG000541

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CAS Number	101667-97-4
Catalog Number	AG000541(AGN-PC-0JQR0O)
Chemical Name	Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-
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
MDL Number	MFCD31714809
Molecular Formula	C8H6N2O3S
Molecular Weight	210.2098
NSC Number	723454
SMILES	O=C(C(S1)=C(C)C2=C1N=CNC2=O)O
Synonyms	101667-97-4, 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid, CYNGLBSDKJIAOD-UHFFFAOYSA-N, CHEMBL1965658, 5-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acid, 4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid, 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, ACMC-20biv9, AC1L8POQ, AC1Q5UIN, AC1Q2GJ7, TimTec1_008104, SCHEMBL263739, CTK4A0072, DTXSID50328084, HMS1557A08, thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-hydroxy-5-methyl-, ZINC8914169, 0434AA, ANW-61206, BBL008312, BDBM50162485, MFCD00463620, SBB014042, STK392444, STK607499, AKOS000271321, AKOS005543466, CCG-125304, MCULE-7344122869, NSC-723454, AJ-70706, AS-41582, BAS 01026299, AB0080174, DB-058636, BB 0219079, 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-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, 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,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number