2-[[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenethiol

Systemtic Name: 2-[[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenethiol Openeye Name: 2-[(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenethiol CAS Name: 2-[[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenethiol IUPAC Name: 2-[(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenethiol Traditional Name: 2-[[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenethiol Formula: C18H15N5S2 MolecularWeight: 365.4752

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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=C4S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)NC4=CC=CC=C4S

InChI

InChI=1S/C18H15N5S2/c24-15-9-5-4-8-14(15)20-16-13-10-19-23-17(13)22-18(21-16)25-11-12-6-2-1-3-7-12/h1-10,24H,11H2,(H2,19,20,21,22,23)