4-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]benzonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNNC3=N2)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNNC3=N2)C#N

InChI

InChI=1S/C13H9N5OS/c14-5-8-1-3-9(4-2-8)7-20-13-16-11-10(6-15-18-11)12(19)17-13/h1-4,6H,7H2,(H2,15,16,17,18,19)