2-azanyl-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[(2-chlorophenyl)methylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[(2-chlorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(2-chlorobenzyl)thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C13H11ClN4S2 MolecularWeight: 322.83624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C13H11ClN4S2/c1-19-11-9(6-15)12(18-13(16)17-11)20-7-8-4-2-3-5-10(8)14/h2-5H,7H2,1H3,(H2,16,17,18)