2-[6-ethyl-2-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[6-ethyl-2-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[6-ethyl-4-oxo-2-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[6-ethyl-2-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[6-ethyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[6-ethyl-4-keto-2-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H15N3OS/c1-3-13-10-14-16(22-13)19-15(20(9-8-18)17(14)21)12-6-4-11(2)5-7-12/h4-7,10H,3,9H2,1-2H3