1,3-dimethyl-5-(3-nitrophenyl)-6-(phenylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(3-nitrophenyl)-6-(phenylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-nitrophenyl)-6-(phenylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-benzyl-1,3-dimethyl-5-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4/c1-22-17-13-24(12-14-7-4-3-5-8-14)19(18(17)20(26)23(2)21(22)27)15-9-6-10-16(11-15)25(28)29/h3-11,13H,12H2,1-2H3