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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-ethylphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-ethylphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-ethylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-ethylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-ethylphenyl)propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3CC

InChI

InChI=1S/C25H35N5O3/c1-4-7-11-17-29-20(14-15-21(31)26-19-13-10-9-12-18(19)6-3)27-23-22(29)24(32)28-25(33)30(23)16-8-5-2/h9-10,12-13H,4-8,11,14-17H2,1-3H3,(H,26,31)(H,28,32,33)