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

Systemtic Name: N-cyclooctyl-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-cyclooctyl-acetamide CAS Name: N-cyclooctyl-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-cyclooctylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-cyclooctyl-acetamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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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)NC4CCCCCCC4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H37N5O3/c1-20(2)15-16-30-19-28-25-24(30)26(34)32(27(35)31(25)17-21-11-7-6-8-12-21)18-23(33)29-22-13-9-4-3-5-10-14-22/h6-8,11-12,19-20,22H,3-5,9-10,13-18H2,1-2H3,(H,29,33)