(E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-(2,3,4-trimethoxyphenyl)acrylonitrile Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=C(C(=C(C=C3)OC)OC)OC)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/C#N)C

InChI

InChI=1S/C20H19N3O4S/c1-10-11(2)28-20-15(10)19(24)22-18(23-20)13(9-21)8-12-6-7-14(25-3)17(27-5)16(12)26-4/h6-8H,1-5H3,(H,22,23,24)/b13-8+