4-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3,4-dimethylphenyl)-5-ethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C21H23N3OS2/c1-5-17-15(4)27-19-18(17)20(25)24(16-9-8-13(2)14(3)12-16)21(23-19)26-11-7-6-10-22/h8-9,12H,5-7,11H2,1-4H3