[3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)-6-phenyl-hexan-2-yl] cyclohexanecarboxylate

Systemtic Name: [3-(2-cyclohexyl-6-oxidanylidene-3H-purin-9-yl)-6-phenyl-hexan-2-yl] cyclohexanecarboxylate Openeye Name: [2-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-1-methyl-5-phenyl-pentyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-6-phenylhexan-2-yl] ester IUPAC Name: [3-(2-cyclohexyl-6-oxo-3H-purin-9-yl)-6-phenylhexan-2-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(2-cyclohexyl-6-keto-3H-purin-9-yl)-1-methyl-5-phenyl-pentyl] ester Formula: C30H40N4O3 MolecularWeight: 504.6636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)OC(=O)C5CCCCC5

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4)OC(=O)C5CCCCC5

InChI

InChI=1S/C30H40N4O3/c1-21(37-30(36)24-17-9-4-10-18-24)25(19-11-14-22-12-5-2-6-13-22)34-20-31-26-28(34)32-27(33-29(26)35)23-15-7-3-8-16-23/h2,5-6,12-13,20-21,23-25H,3-4,7-11,14-19H2,1H3,(H,32,33,35)