5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione

Systemtic Name: 5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Openeye Name: 5-[1-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]allyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione CAS Name: 5-[1-phenyl-2-[4-(2-pyridinyl)-1-piperazinyl]prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione IUPAC Name: 5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Traditional Name: 5-[1-phenyl-2-[4-(2-pyridyl)piperazino]allyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Formula: C23H23N7S MolecularWeight: 429.54062

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C1=CC=CC=C1)N2C=NC3=C(C2=S)C=NN3)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C=C(C(C1=CC=CC=C1)N2C=NC3=C(C2=S)C=NN3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H23N7S/c1-17(28-11-13-29(14-12-28)20-9-5-6-10-24-20)21(18-7-3-2-4-8-18)30-16-25-22-19(23(30)31)15-26-27-22/h2-10,15-16,21H,1,11-14H2,(H,26,27)