2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-phenethyl-acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-phenethylacetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-phenethylacetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-phenethyl-acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-3-5-14-26-17-25-21-20(26)22(30)28(23(31)27(21)15-6-4-2)16-19(29)24-13-12-18-10-8-7-9-11-18/h7-11,17H,3-6,12-16H2,1-2H3,(H,24,29)