4-azanyl-6-methylsulfanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-methylsulfanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-benzylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-(methylthio)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-benzylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(benzylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H12N4S2 MolecularWeight: 288.39118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N)SCC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N)SCC2=CC=CC=C2

InChI

InChI=1S/C13H12N4S2/c1-18-12-10(7-14)11(15)16-13(17-12)19-8-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,15,16,17)