4-[4-oxidanylidene-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C22H13N5O2S2 MolecularWeight: 443.50092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H13N5O2S2/c23-11-13-5-7-14(8-6-13)27-21(29)15-3-1-2-4-16(15)25-22(27)31-12-18-24-17-9-10-30-19(17)20(28)26-18/h1-10H,12H2,(H,24,26,28)