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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-cyclopentyl-propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-cyclopentyl-propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-cyclopentylpropanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-cyclopentylpropanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-cyclopentyl-propionamide Formula: C21H33N5O3 MolecularWeight: 403.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CCCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CCCC3)CC(C)C

InChI

InChI=1S/C21H33N5O3/c1-4-5-12-25-19-18(20(28)24-21(25)29)26(13-14(2)3)16(23-19)10-11-17(27)22-15-8-6-7-9-15/h14-15H,4-13H2,1-3H3,(H,22,27)(H,24,28,29)