2-(4-chloranyl-3-nitro-phenyl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(4-chloro-3-nitro-phenyl)-8-oxo-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-chloro-3-nitro-phenyl)-8-keto-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C19H13ClN6O4 MolecularWeight: 424.79732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClN6O4/c1-9-2-5-11(6-3-9)25-18-15(23-19(25)28)14(16(21)27)22-17(24-18)10-4-7-12(20)13(8-10)26(29)30/h2-8H,1H3,(H2,21,27)(H,23,28)