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

Systemtic Name: 4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile CAS Name: 4-[3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propoxy]benzonitrile IUPAC Name: 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile Traditional Name: 4-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propoxy]benzonitrile Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C16H13N3O2S/c17-10-12-2-4-13(5-3-12)21-8-1-7-19-11-18-15-14(16(19)20)6-9-22-15/h2-6,9,11H,1,7-8H2