N2-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine

Systemtic Name: N2-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine Openeye Name: N2-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzene-1,2-diamine CAS Name: N2-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine IUPAC Name: 2-N-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzene-1,2-diamine Traditional Name: (2-aminophenyl)-[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)NC4=CC=CC=C4N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)NC4=CC=CC=C4N

InChI

InChI=1S/C18H16N6S/c19-14-8-4-5-9-15(14)21-16-13-10-20-24-17(13)23-18(22-16)25-11-12-6-2-1-3-7-12/h1-10H,11,19H2,(H2,20,21,22,23,24)