6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 6-butyl-4-(4-nitrophenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C1=O)C(NC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC2=C(C1=O)C(NC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-2-3-8-19-9-12-13(15(19)21)14(18-16(22)17-12)10-4-6-11(7-5-10)20(23)24/h4-7,14H,2-3,8-9H2,1H3,(H2,17,18,22)