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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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