4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H18ClFN6O2S MolecularWeight: 472.923023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C21H18ClFN6O2S/c22-18-12-16(6-7-19(18)23)32(30,31)28-10-8-27(9-11-28)20-17-13-26-29(21(17)25-14-24-20)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2