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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3N4CCCCC4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3N4CCCCC4)CC(C)C

InChI

InChI=1S/C27H38N6O3/c1-4-5-17-32-25-24(26(35)30-27(32)36)33(18-19(2)3)22(29-25)13-14-23(34)28-20-11-7-8-12-21(20)31-15-9-6-10-16-31/h7-8,11-12,19H,4-6,9-10,13-18H2,1-3H3,(H,28,34)(H,30,35,36)