9-(3-chlorophenyl)-2-(4-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3-chlorophenyl)-2-(4-nitrophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3-chlorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-chlorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3-chlorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3-chlorophenyl)-8-keto-2-(4-nitrophenyl)-7H-purine-6-carboxamide Formula: C18H11ClN6O4 MolecularWeight: 410.77074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN6O4/c19-10-2-1-3-12(8-10)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-4-6-11(7-5-9)25(28)29/h1-8H,(H2,20,26)(H,22,27)