N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC(=CC(=O)N3)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C17H18N4O3S2/c1-2-9-3-4-10-11(7-18)16(26-12(10)5-9)19-15(24)8-25-17-20-13(22)6-14(23)21-17/h6,9H,2-5,8H2,1H3,(H,19,24)(H2,20,21,22,23)