6-methylsulfanyl-N-phenethyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-methylsulfanyl-N-phenethyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-methylsulfanyl-N-phenethyl-1-[(Z)-styryl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(methylthio)-N-phenethyl-1-[(Z)-2-phenylethenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-methylsulfanyl-N-phenethyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(methylthio)-1-[(Z)-styryl]pyrazolo[3,4-d]pyrimidin-4-yl]-phenethyl-amine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C=CC3=CC=CC=C3)C(=N1)NCCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C=NN2/C=C\C3=CC=CC=C3)C(=N1)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-28-22-25-20(23-14-12-17-8-4-2-5-9-17)19-16-24-27(21(19)26-22)15-13-18-10-6-3-7-11-18/h2-11,13,15-16H,12,14H2,1H3,(H,23,25,26)/b15-13-