N-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-thiophen-2-yl-methanimine

Systemtic Name: N-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-thiophen-2-yl-methanimine Openeye Name: N-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-(2-thienyl)methanimine CAS Name: N-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-thiophen-2-ylmethanimine IUPAC Name: N-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-2-ylmethanimine Traditional Name: [6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-(2-thenylidene)amine Formula: C17H13N5S2 MolecularWeight: 351.44862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C3C=NNC3=N2)N=CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C3C=NNC3=N2)N=CC4=CC=CS4

InChI

InChI=1S/C17H13N5S2/c1-2-5-12(6-3-1)11-24-17-20-15(14-10-19-22-16(14)21-17)18-9-13-7-4-8-23-13/h1-10H,11H2,(H,19,20,21,22)