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

Systemtic Name: 6-(3-azanyl-4-methyl-phenyl)-5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 6-(3-amino-4-methyl-phenyl)-5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 6-(3-amino-4-methylphenyl)-5-(2-bromo-5-nitrophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 6-(3-amino-4-methylphenyl)-5-(2-bromo-5-nitrophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 6-(3-amino-4-methyl-phenyl)-5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H18BrN5O4 MolecularWeight: 484.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C)N

InChI

InChI=1S/C21H18BrN5O4/c1-11-4-5-12(9-16(11)23)26-10-17-18(20(28)25(3)21(29)24(17)2)19(26)14-8-13(27(30)31)6-7-15(14)22/h4-10H,23H2,1-3H3