N4-[(3-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-[(3-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(3-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[[3-(methylthio)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(3-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-[3-(methylthio)benzyl]amine Formula: C13H14N6S MolecularWeight: 286.35546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC2=NC(=NC3=C2C=NN3)N

Isomeric SMILES

CSC1=CC=CC(=C1)CNC2=NC(=NC3=C2C=NN3)N

InChI

InChI=1S/C13H14N6S/c1-20-9-4-2-3-8(5-9)6-15-11-10-7-16-19-12(10)18-13(14)17-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19)