6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline dihydrochloride

Systemtic Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline dihydrochloride Openeye Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(1-piperidylsulfonyl)-2-thienyl]quinazoline dihydrochloride CAS Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(1-piperidinylsulfonyl)-2-thiophenyl]quinazoline dihydrochloride IUPAC Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)quinazoline dihydrochloride Traditional Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidinosulfonyl-2-thienyl)quinazoline dihydrochloride Formula: C26H24Cl2FN5O2S2 MolecularWeight: 592.535463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)F.Cl.Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)F.Cl.Cl

InChI

InChI=1S/C26H22FN5O2S2.2ClH/c27-19-7-4-17(5-8-19)25-21(15-30-31-25)18-6-9-22-20(14-18)26(29-16-28-22)23-10-11-24(35-23)36(33,34)32-12-2-1-3-13-32;;/h4-11,14-16H,1-3,12-13H2,(H,30,31);2*1H