3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl cyclohexanecarboxylate

Systemtic Name: 3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl cyclohexanecarboxylate Openeye Name: [2-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-1-methyl-octyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)nonan-2-yl ester IUPAC Name: 3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)nonan-2-yl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(2-cyclohexyl-6-keto-3H-purin-9-yl)-1-methyl-octyl] ester Formula: C27H42N4O3 MolecularWeight: 470.64738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C1CCCCC1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C1CCCCC1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4

InChI

InChI=1S/C27H42N4O3/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/h18-22H,3-17H2,1-2H3,(H,29,30,32)