6-methylsulfanyl-1-[(Z)-2-phenylethenyl]-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-methylsulfanyl-1-[(Z)-2-phenylethenyl]-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-methylsulfanyl-4-(1-piperidyl)-1-[(Z)-styryl]pyrazolo[3,4-d]pyrimidine CAS Name: 6-(methylthio)-1-[(Z)-2-phenylethenyl]-4-(1-piperidinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-methylsulfanyl-1-[(Z)-2-phenylethenyl]-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-(methylthio)-4-piperidino-1-[(Z)-styryl]pyrazolo[3,4-d]pyrimidine Formula: C19H21N5S MolecularWeight: 351.46854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C=CC3=CC=CC=C3)C(=N1)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2/C=C\C3=CC=CC=C3)C(=N1)N4CCCCC4

InChI

InChI=1S/C19H21N5S/c1-25-19-21-17(23-11-6-3-7-12-23)16-14-20-24(18(16)22-19)13-10-15-8-4-2-5-9-15/h2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3/b13-10-