AG0097HV

1207368-82-8 | 6-Benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one

AG0097HV

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CAS Number	1207368-82-8
Catalog Number	AG0097HV(AGN-PC-0CTG4U)
Chemical Name	6-Benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
IUPAC Name	6-benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7-one
InChI	InChI=1S/C13H9Cl2N3O/c14-11-9-7-18(6-8-4-2-1-3-5-8)12(19)10(9)16-13(15)17-11/h1-5H,6-7H2
InChI Key	RIQWFOVEZFDBBP-UHFFFAOYSA-N
MDL Number	MFCD23704678
Molecular Formula	C13H9Cl2N3O
Molecular Weight	294.1361
SMILES	O=C1c2c(CN1Cc1ccccc1)c(Cl)nc(n2)Cl
Synonyms	1207368-82-8, 6-Benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one, 6-Benzyl-2,4-dichloro-5H-pyrrolo-[3,4-d]pyrimidin-7(6H)-one, C13H9Cl2N3O, 6-benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7-one, RIQWFOVEZFDBBP-UHFFFAOYSA-N, SCHEMBL1831057, 6-benzyl-2,4-dichloro-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one, 0992AD, BBL102750, MFCD23704678, STL556556, ZINC95829788, AKOS024464579, FCH2896401, AK161170, OR302568, AJ-133956, AX8294132, FT-0745426, 6-benzyl-2,4-dichloro-5,6-dihydro-7H-pyrrolo[3,4-d]pyrimidin-7-one, 6-benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one, 95% - 1G 1g,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.012g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.135g/mol
Monoisotopic Mass	293.012g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

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