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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-ethyl-N-(2-thienylmethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-ethyl-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-ethyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-ethyl-N-(2-thenyl)propionamide Formula: C24H35N5O3S MolecularWeight: 473.6314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)CC3=CC=CS3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)CC3=CC=CS3

InChI

InChI=1S/C24H35N5O3S/c1-4-7-9-15-28-19(12-13-20(30)27(6-3)17-18-11-10-16-33-18)25-22-21(28)23(31)26-24(32)29(22)14-8-5-2/h10-11,16H,4-9,12-15,17H2,1-3H3,(H,26,31,32)