2-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 2-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 2-[4-(3-fluoro-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 2-[4-(3-fluoro-5-methylsulfonylphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 2-[4-(3-fluoro-5-methylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 2-[4-(3-fluoro-5-mesyl-phenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline Formula: C22H21FN6O2S MolecularWeight: 452.504543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

InChI

InChI=1S/C22H21FN6O2S/c1-32(30,31)20-10-18(23)9-19(11-20)28-4-6-29(7-5-28)22-24-12-16-8-15(2-3-21(16)27-22)17-13-25-26-14-17/h2-3,8-14H,4-7H2,1H3,(H,25,26)