4-methyl-7-(4-nitrophenyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-7-(4-nitrophenyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4-methyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-7-(4-nitrophenyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-7-(4-nitrophenyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4-methyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C17H14N6O4 MolecularWeight: 366.33086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4/c1-3-8-21-12(10-4-6-11(7-5-10)23(26)27)9-22-13-14(18-16(21)22)20(2)17(25)19-15(13)24/h3-7,9H,1,8H2,2H3,(H,19,24,25)