3-(6-oxidanylidene-2-phenyl-3H-purin-9-yl)nonan-2-yl benzoate

Systemtic Name: 3-(6-oxidanylidene-2-phenyl-3H-purin-9-yl)nonan-2-yl benzoate Openeye Name: [1-methyl-2-(6-oxo-2-phenyl-3H-purin-9-yl)octyl] benzoate CAS Name: benzoic acid 3-(6-oxo-2-phenyl-3H-purin-9-yl)nonan-2-yl ester IUPAC Name: 3-(6-oxo-2-phenyl-3H-purin-9-yl)nonan-2-yl benzoate Traditional Name: benzoic acid [2-(6-keto-2-phenyl-3H-purin-9-yl)-1-methyl-octyl] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-3-4-5-12-17-22(19(2)34-27(33)21-15-10-7-11-16-21)31-18-28-23-25(31)29-24(30-26(23)32)20-13-8-6-9-14-20/h6-11,13-16,18-19,22H,3-5,12,17H2,1-2H3,(H,29,30,32)