2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-(2-thenyl)acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H27N5O3S/c1-3-5-9-23-14-22-18-17(23)19(27)25(20(28)24(18)10-6-4-2)13-16(26)21-12-15-8-7-11-29-15/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,21,26)