3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanenitrile

Systemtic Name: 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanenitrile Openeye Name: 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanenitrile CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanenitrile Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionitrile Formula: C16H13N3OS MolecularWeight: 295.35892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC#N

InChI

InChI=1S/C16H13N3OS/c1-11-3-5-12(6-4-11)13-9-21-15-14(13)16(20)19(10-18-15)8-2-7-17/h3-6,9-10H,2,8H2,1H3