2-[[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[5-(4-chlorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C21H14ClN3OS MolecularWeight: 391.87336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3OS/c1-13-18(14-6-8-17(22)9-7-14)19-20(27-13)24-12-25(21(19)26)11-16-5-3-2-4-15(16)10-23/h2-9,12H,11H2,1H3