6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-(3-aminophenyl)-1,3-dimethyl-5-(4-methyl-3-nitro-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C(=CN2C4=CC(=CC=C4)N)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C(=CN2C4=CC(=CC=C4)N)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-12-7-8-13(9-16(12)26(29)30)19-18-17(23(2)21(28)24(3)20(18)27)11-25(19)15-6-4-5-14(22)10-15/h4-11H,22H2,1-3H3