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

Systemtic Name: N-cyclohexyl-2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-cyclohexylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-cyclohexyl-acetamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

InChI

InChI=1S/C25H33N5O3/c1-18(2)13-14-28-17-26-23-22(28)24(32)30(16-21(31)27-20-11-7-4-8-12-20)25(33)29(23)15-19-9-5-3-6-10-19/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,27,31)