2-[7-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[7-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[7-(3,4-dimethoxyphenyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[7-(3,4-dimethoxyphenyl)-4-oxo-3-thieno[3,2-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[7-(3,4-dimethoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[7-(3,4-dimethoxyphenyl)-4-keto-thieno[3,2-d]pyrimidin-3-yl]acetonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2N=CN(C3=O)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2N=CN(C3=O)CC#N)OC

InChI

InChI=1S/C16H13N3O3S/c1-21-12-4-3-10(7-13(12)22-2)11-8-23-15-14(11)18-9-19(6-5-17)16(15)20/h3-4,7-9H,6H2,1-2H3