3-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 3-[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C21H15N3OS MolecularWeight: 357.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3OS/c1-14-18(17-8-3-2-4-9-17)19-20(26-14)23-13-24(21(19)25)12-16-7-5-6-15(10-16)11-22/h2-10,13H,12H2,1H3