N-cyclohexyl-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-cyclohexylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-cyclohexyl-acetamide Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

InChI

InChI=1S/C24H31N5O3/c1-17(2)13-27-16-25-22-21(27)23(31)29(15-20(30)26-19-11-7-4-8-12-19)24(32)28(22)14-18-9-5-3-6-10-18/h3,5-6,9-10,16-17,19H,4,7-8,11-15H2,1-2H3,(H,26,30)