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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2S/c1-26-17-8-6-14(7-9-17)18-12-27-20-19(18)21(25)24(13-23-20)11-16-5-3-2-4-15(16)10-22/h2-9,12-13H,11H2,1H3