2-[4-diazanyl-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-diazanyl-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-(6-benzylsulfanyl-4-hydrazino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-[4-hydrazinyl-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-(6-benzylsulfanyl-4-hydrazinyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[6-(benzylthio)-4-hydrazino-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile Formula: C14H13N7S MolecularWeight: 311.36492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=NNC(=C3C(=N2)NN)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=NNC(=C3C(=N2)NN)CC#N

InChI

InChI=1S/C14H13N7S/c15-7-6-10-11-12(19-16)17-14(18-13(11)21-20-10)22-8-9-4-2-1-3-5-9/h1-5H,6,8,16H2,(H2,17,18,19,20,21)