2-[4-oxidanylidene-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]quinazolin-3-yl]acetonitrile Formula: C17H11N5OS2 MolecularWeight: 365.43214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3C=CS4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3C=CS4)CC#N

InChI

InChI=1S/C17H11N5OS2/c18-6-7-22-14(21-13-4-2-1-3-11(13)17(22)23)9-25-16-12-5-8-24-15(12)19-10-20-16/h1-5,8,10H,7,9H2