3-methylsulfanyl-1-phenyl-5-[(E)-(phenylmethylidene)amino]pyrazolo[3,4-d]pyrimidin-4-imine

Systemtic Name: 3-methylsulfanyl-1-phenyl-5-[(E)-(phenylmethylidene)amino]pyrazolo[3,4-d]pyrimidin-4-imine Openeye Name: 5-[(E)-benzylideneamino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine CAS Name: 3-(methylthio)-1-phenyl-5-[(E)-(phenylmethylene)amino]-4-pyrazolo[3,4-d]pyrimidinimine IUPAC Name: 5-[(E)-benzylideneamino]-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine Traditional Name: (E)-benzal-[4-imino-3-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl]amine Formula: C19H16N6S MolecularWeight: 360.43554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=N)N(C=N2)N=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C2=C1C(=N)N(C=N2)/N=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16N6S/c1-26-19-16-17(20)24(22-12-14-8-4-2-5-9-14)13-21-18(16)25(23-19)15-10-6-3-7-11-15/h2-13,20H,1H3/b20-17?,22-12+