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

Systemtic Name: N-cyclooctyl-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-cyclooctyl-acetamide CAS Name: N-cyclooctyl-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-cyclooctylacetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-cyclooctyl-acetamide Formula: C26H35N5O3 MolecularWeight: 465.5878

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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)NC4CCCCCCC4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCCCC4

InChI

InChI=1S/C26H35N5O3/c1-19(2)15-29-18-27-24-23(29)25(33)31(26(34)30(24)16-20-11-7-6-8-12-20)17-22(32)28-21-13-9-4-3-5-10-14-21/h6-8,11-12,18-19,21H,3-5,9-10,13-17H2,1-2H3,(H,28,32)