2-[5,6-dimethyl-4-oxidanylidene-3-(4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5,6-dimethyl-4-oxidanylidene-3-(4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-benzyloxyphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[5,6-dimethyl-4-oxo-3-(4-phenylmethoxyphenyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[5,6-dimethyl-4-oxo-3-(4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-benzoxyphenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C23H19N3O2S2 MolecularWeight: 433.54586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H19N3O2S2/c1-15-16(2)30-21-20(15)22(27)26(23(25-21)29-13-12-24)18-8-10-19(11-9-18)28-14-17-6-4-3-5-7-17/h3-11H,13-14H2,1-2H3