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

Systemtic Name: N-cycloheptyl-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-cycloheptyl-acetamide CAS Name: N-cycloheptyl-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-cycloheptylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-cycloheptyl-acetamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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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)NC4CCCCCC4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCCC4

InChI

InChI=1S/C25H33N5O3/c1-18(2)14-28-17-26-23-22(28)24(32)30(16-21(31)27-20-12-8-3-4-9-13-20)25(33)29(23)15-19-10-6-5-7-11-19/h5-7,10-11,17-18,20H,3-4,8-9,12-16H2,1-2H3,(H,27,31)