7-methyl-8-(4-nitrophenyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-methyl-8-(4-nitrophenyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-(4-nitrophenyl)-9H-purin-7-ium-2,6-dione CAS Name: 7-methyl-8-(4-nitrophenyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-(4-nitrophenyl)-9H-purin-7-ium-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-(4-nitrophenyl)-9H-purin-7-ium-2,6-quinone Formula: C19H16N5O4+ MolecularWeight: 378.36144

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4/c1-22-15-17(20-16(22)13-7-9-14(10-8-13)24(27)28)23(19(26)21-18(15)25)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,25,26)/p+1