AG00E9P4

635698-34-9 | 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

AG00E9P4

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CAS Number	635698-34-9
Catalog Number	AG00E9P4(AGN-PC-05SPO1)
Chemical Name	6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione
IUPAC Name	6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
InChI	InChI=1S/C13H13N3O2/c17-12-10-7-16(6-9-4-2-1-3-5-9)8-11(10)14-13(18)15-12/h1-5H,6-8H2,(H2,14,15,17,18)
InChI Key	HHPFBTNJYIYLKC-UHFFFAOYSA-N
MDL Number	MFCD10699254
Molecular Formula	C13H13N3O2
Molecular Weight	243.2612
SMILES	O=C1NC(CN(CC2=CC=CC=C2)C3)=C3C(N1)=O
Synonyms	6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 635698-34-9, AK-27520, 6-benzyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,4-dione, 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diol, 6-Benzyl-4-hydroxy-3,5,6,7-tetrahydro-2H-pyrrolo[3,4-d]pyrimidin-2-one, PubChem14647, SCHEMBL4317721, CTK2F1754, DTXSID90653347, KS-00000HJ6, ANW-47092, CB0228, MFCD10699254, ZINC30678449, AKOS015855762, DS-1621, FCH2834973, FS-3349, RP07642, AJ-84098, AN-27825, BR-27520, SC-34571, AB0025973, AX8159196, DB-073347, 4CH-008176, FT-0646417, W7546, S-6520, 698B349, A834414, J-518270, 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2, 6-benzyl-1H,3H,5H,7H-pyrrolo[3,4-d]pyrimidine-2,4-dione, 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione, 6-(phenylmethyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione, 6-benzyl-1,5,6,7-tetrahydro-2H-pyrrolo[3,4-d]pyrimidine-2,4(3H)-dione, 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-6-(phenylmethyl)-, 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione,6,7-dihydro-6-(phenylmethyl)-, C13H13N3O2, 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4 -dione, N/A,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.101g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.266g/mol
Monoisotopic Mass	243.101g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number