methyl 3-[6-oxidanylidene-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]benzoate

Systemtic Name: methyl 3-[6-oxidanylidene-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]benzoate Openeye Name: methyl 3-[9-(1-methyl-4-phenyl-butyl)-6-oxo-3H-purin-2-yl]benzoate CAS Name: 3-[6-oxo-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-oxo-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]benzoate Traditional Name: 3-[6-keto-9-(1-methyl-4-phenyl-butyl)-3H-purin-2-yl]benzoic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C24H24N4O3/c1-16(8-6-11-17-9-4-3-5-10-17)28-15-25-20-22(28)26-21(27-23(20)29)18-12-7-13-19(14-18)24(30)31-2/h3-5,7,9-10,12-16H,6,8,11H2,1-2H3,(H,26,27,29)