2-[4-oxidanylidene-5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-phenyl-2-[(2-pyrimidinylthio)methyl]-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-phenyl-2-[(2-pyrimidylthio)methyl]thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C19H13N5OS2 MolecularWeight: 391.46942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CSC4=NC=CC=N4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CSC4=NC=CC=N4)CC#N

InChI

InChI=1S/C19H13N5OS2/c20-7-10-24-15(12-27-19-21-8-4-9-22-19)23-17-16(18(24)25)14(11-26-17)13-5-2-1-3-6-13/h1-6,8-9,11H,10,12H2