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

Systemtic Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline dihydrochloride Openeye Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(1-piperidylsulfonyl)-2-thienyl]-4H-quinazoline dihydrochloride CAS Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-4H-quinazoline dihydrochloride IUPAC Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline dihydrochloride Traditional Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-piperidinosulfonyl-2-thienyl)-4H-quinazoline dihydrochloride Formula: C26H26Cl2FN5O2S2 MolecularWeight: 594.551343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3C4=CC=CC=C4N(C=N3)C5=C(NN=C5)C6=CC=C(C=C6)F.Cl.Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3C4=CC=CC=C4N(C=N3)C5=C(NN=C5)C6=CC=C(C=C6)F.Cl.Cl

InChI

InChI=1S/C26H24FN5O2S2.2ClH/c27-19-10-8-18(9-11-19)25-22(16-29-30-25)32-17-28-26(20-6-2-3-7-21(20)32)23-12-13-24(35-23)36(33,34)31-14-4-1-5-15-31;;/h2-3,6-13,16-17,26H,1,4-5,14-15H2,(H,29,30);2*1H