3,7-dimethyl-2-(4-nitrophenyl)purin-6-one

Systemtic Name: 3,7-dimethyl-2-(4-nitrophenyl)purin-6-one Openeye Name: 3,7-dimethyl-2-(4-nitrophenyl)purin-6-one CAS Name: 3,7-dimethyl-2-(4-nitrophenyl)-6-purinone IUPAC Name: 3,7-dimethyl-2-(4-nitrophenyl)purin-6-one Traditional Name: 3,7-dimethyl-2-(4-nitrophenyl)purin-6-one Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c1-16-7-14-12-10(16)13(19)15-11(17(12)2)8-3-5-9(6-4-8)18(20)21/h3-7H,1-2H3