2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-thenyl)acetamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NCC3=CC=CS3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NCC3=CC=CS3)N(C(=N2)CO)CCC

InChI

InChI=1S/C20H27N5O4S/c1-3-5-9-24-18-17(23(8-4-2)15(13-26)22-18)19(28)25(20(24)29)12-16(27)21-11-14-7-6-10-30-14/h6-7,10,26H,3-5,8-9,11-13H2,1-2H3,(H,21,27)