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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C22H17N3O3S/c1-27-18-8-7-14(9-19(18)28-2)17-12-29-21-20(17)22(26)25(13-24-21)11-16-6-4-3-5-15(16)10-23/h3-9,12-13H,11H2,1-2H3