8-imidazol-1-ium-1-ylidene-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-9H-purine-2,6-dione

Systemtic Name: 8-imidazol-1-ium-1-ylidene-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-9H-purine-2,6-dione Openeye Name: 8-imidazol-1-ium-1-ylidene-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-9H-purine-2,6-dione CAS Name: 8-(1-imidazol-1-iumylidene)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-9H-purine-2,6-dione IUPAC Name: 8-imidazol-1-ium-1-ylidene-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-9H-purine-2,6-dione Traditional Name: 8-imidazol-1-ium-1-ylidene-1,3-dimethyl-7-(4-nitrobenzyl)-9H-purine-2,6-quinone Formula: C17H16N7O4+ MolecularWeight: 382.35344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3C=CN=C3)N2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3C=CN=C3)N2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O4/c1-20-14-13(15(25)21(2)17(20)26)23(16(19-14)22-8-7-18-10-22)9-11-3-5-12(6-4-11)24(27)28/h3-8,10H,9H2,1-2H3/p+1