N4-(2-chlorophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N4-(2-chlorophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(2-chlorophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(2-chlorophenyl)-1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(2-chlorophenyl)-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [3-amino-1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-chlorophenyl)amine Formula: C13H13ClN6S MolecularWeight: 320.80052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)N)C(=NC(=N2)SC)NC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=N1)N)C(=NC(=N2)SC)NC3=CC=CC=C3Cl

InChI

InChI=1S/C13H13ClN6S/c1-20-12-9(10(15)19-20)11(17-13(18-12)21-2)16-8-6-4-3-5-7(8)14/h3-6H,1-2H3,(H2,15,19)(H,16,17,18)