7-cyano-4-oxidanylidene-6-(pyridin-3-ylmethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-4-oxidanylidene-6-(pyridin-3-ylmethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-4-oxo-6-(3-pyridylmethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-4-oxo-6-(3-pyridinylmethylthio)-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-4-oxo-6-(pyridin-3-ylmethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-(3-pyridylmethylthio)-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C13H7N4O2S2- MolecularWeight: 315.35028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

C1=CC(=CN=C1)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C13H8N4O2S2/c14-4-8-9-10(11(18)17-13(19)16-9)21-12(8)20-6-7-2-1-3-15-5-7/h1-3,5H,6H2,(H2,16,17,18,19)/p-1