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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-heptan-2-yl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(1-methylhexyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-heptan-2-ylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-heptan-2-ylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1-methylhexyl)propionamide Formula: C24H41N5O3 MolecularWeight: 447.61404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2CCCC

Isomeric SMILES

CCCCCC(C)NC(=O)CCC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2CCCC

InChI

InChI=1S/C24H41N5O3/c1-5-8-11-13-18(4)25-20(30)15-14-19-26-22-21(28(19)17-12-9-6-2)23(31)27-24(32)29(22)16-10-7-3/h18H,5-17H2,1-4H3,(H,25,30)(H,27,31,32)