methyl 2-[6-oxidanylidene-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[6-oxidanylidene-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl 2-[9-(1-methyl-4-phenyl-butyl)-6-oxo-3H-purin-2-yl]cyclohexanecarboxylate CAS Name: 2-[6-oxo-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[6-oxo-9-(5-phenylpentan-2-yl)-3H-purin-2-yl]cyclohexane-1-carboxylate Traditional Name: 2-[6-keto-9-(1-methyl-4-phenyl-butyl)-3H-purin-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4C(=O)OC

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4C(=O)OC

InChI

InChI=1S/C24H30N4O3/c1-16(9-8-12-17-10-4-3-5-11-17)28-15-25-20-22(28)26-21(27-23(20)29)18-13-6-7-14-19(18)24(30)31-2/h3-5,10-11,15-16,18-19H,6-9,12-14H2,1-2H3,(H,26,27,29)