2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)ethanamide Openeye Name: N-(2-cyanophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H12N6OS MolecularWeight: 300.33898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H12N6OS/c14-6-8-3-1-2-4-9(8)17-12(20)7-21-13-18-10(15)5-11(16)19-13/h1-5H,7H2,(H,17,20)(H4,15,16,18,19)