6-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-[5-(4-bromophenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-[3-(4-bromophenyl)-5-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H22BrFN6O2S MolecularWeight: 617.491383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)F)C6=CC=C(C=C6)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)F)C6=CC=C(C=C6)Br

InChI

InChI=1S/C29H22BrFN6O2S/c1-17-2-4-19(5-3-17)25-14-24(18-6-8-20(30)9-7-18)35-37(25)26(38)16-40-29-33-27-23(28(39)34-29)15-32-36(27)22-12-10-21(31)11-13-22/h2-13,15,25,32H,14,16H2,1H3