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

Systemtic Name: N-cyclooctyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-cyclooctylacetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-cyclooctyl-acetamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCCCC4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCCCC4

InChI

InChI=1S/C25H33N5O4/c1-34-15-14-28-18-26-23-22(28)24(32)30(25(33)29(23)16-19-10-6-5-7-11-19)17-21(31)27-20-12-8-3-2-4-9-13-20/h5-7,10-11,18,20H,2-4,8-9,12-17H2,1H3,(H,27,31)