3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(4-piperidinophenyl)propionamide Formula: C27H38N6O3 MolecularWeight: 494.62902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C27H38N6O3/c1-3-5-18-32-22(29-25-24(32)26(35)30-27(36)33(25)19-6-4-2)14-15-23(34)28-20-10-12-21(13-11-20)31-16-8-7-9-17-31/h10-13H,3-9,14-19H2,1-2H3,(H,28,34)(H,30,35,36)