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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H17N3O2S/c1-2-27-18-9-7-15(8-10-18)19-13-28-21-20(19)22(26)25(14-24-21)12-17-6-4-3-5-16(17)11-23/h3-10,13-14H,2,12H2,1H3