3-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 3-[(4-oxo-3-thieno[3,2-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-ketothieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C14H9N3OS MolecularWeight: 267.30576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)SC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)SC=C3)C#N

InChI

InChI=1S/C14H9N3OS/c15-7-10-2-1-3-11(6-10)8-17-9-16-12-4-5-19-13(12)14(17)18/h1-6,9H,8H2