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

Systemtic Name: 4-[4-(3-fluoranyl-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline dihydrochloride Openeye Name: 4-[4-(3-fluoro-5-methylsulfonyl-phenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline dihydrochloride CAS Name: 4-[4-(3-fluoro-5-methylsulfonylphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline dihydrochloride IUPAC Name: 4-[4-(3-fluoro-5-methylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline dihydrochloride Traditional Name: 4-[4-(3-fluoro-5-mesyl-phenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline dihydrochloride Formula: C22H23Cl2FN6O2S MolecularWeight: 525.426423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)F)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl

InChI

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