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

Systemtic Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)quinazoline dihydrochloride Openeye Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)quinazoline dihydrochloride CAS Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]quinazoline dihydrochloride IUPAC Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)quinazoline dihydrochloride Traditional Name: 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(5-pyrrolidinosulfonyl-2-thienyl)quinazoline dihydrochloride Formula: C25H22Cl2FN5O2S2 MolecularWeight: 578.508883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C25H20FN5O2S2.2ClH/c26-18-6-3-16(4-7-18)24-20(14-29-30-24)17-5-8-21-19(13-17)25(28-15-27-21)22-9-10-23(34-22)35(32,33)31-11-1-2-12-31;;/h3-10,13-15H,1-2,11-12H2,(H,29,30);2*1H