AG007KOI

284028-90-6 | 1,5,7,8-TETRAHYDRO-2-METHYL-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE

AG007KOI

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CAS Number	284028-90-6
Catalog Number	AG007KOI(AGN-PC-0N0T4Q)
Chemical Name	1,5,7,8-TETRAHYDRO-2-METHYL-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE
IUPAC Name	2-methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
InChI	InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChI Key	HRYKZAKEAVZGJD-UHFFFAOYSA-N
MDL Number	MFCD08703132
Molecular Formula	C8H10N2OS
Molecular Weight	182.2428
SMILES	O=C1C(CSCC2)=C2NC(C)=N1
Synonyms	2-methyl-3,5,7,8-tetrahydrothiopyrano(4,3-d)pyrimidine-4-one, DR 2313, DR-2313, DR2313, 284028-90-6, 7,8-Dihydro-2-methyl-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, DR 2313, PARP Inhibitor XI, DR2313, CHEMBL483348, 1,5,7,8-Tetrahydro-2-methyl-4H-thiopyrano[4,3-d]pyrimidin-4-one, 2-Methyl-3,5,7,8-Tetrahydro-4h-Thiopyrano[4,3-D]pyrimidin-4-One, IR 2313, 2-methyl-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, 3,5,7,8-Tetrahydro-2-methyl-4H-thiopyrano[4,3-d]pyrimidin-4-one, 2-Methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-one, 4pnl, DRL, DR2313, 3c4h, SCHEMBL421328, SCHEMBL15105584, CTK8B8975, DTXSID10436871, HMS3269K13, HMS3677D09, ACT08709, ANW-61702, BDBM50277614, BS0284, FCH863010, MFCD08703132, ZINC13831221, AKOS006291031, AKOS023591203, AKOS025401612, DB07677, RP24345, VZ25633, NCGC00167745-01, AC-22822, ACM284028906, AJ-64454, AK-34513, AS-35194, AX8160273, DB-024851, DR2313, >=98% (HPLC), A5393, FT-0657586, EC-000.2397, I14-8145, J-017060, J-519059, BRD-K94920105-001-01-3, 2-methyl-3H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one, 2-methyl-3H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one, 2-methyl-1,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, 2-methyl-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, 2-Methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4(3H)-one, 4H-Thiopyrano[4,3-d]pyrimidin-4-one,3,5,7,8-tetrahydro-2-methyl-, D0W7XH, HRYKZAKEAVZGJD-UHFFFAOYSA-N, ACN-049599, CID10219702, A4527, A15373, 9-methyl-4-thia-8,10-diazabicyclo[4.4.0]deca-8,11-dien-7-one,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.241g/mol
Monoisotopic Mass	182.051g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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