4-[4-(5-methylsulfonylthiophen-2-yl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride

Systemtic Name: 4-[4-(5-methylsulfonylthiophen-2-yl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Openeye Name: 4-[4-(5-methylsulfonyl-2-thienyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride CAS Name: 4-[4-(5-methylsulfonyl-2-thiophenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride IUPAC Name: 4-[4-(5-methylsulfonylthiophen-2-yl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Traditional Name: 4-[4-(5-mesyl-2-thienyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline trihydrochloride Formula: C20H23Cl3N6O2S2 MolecularWeight: 549.92462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl.Cl

InChI

InChI=1S/C20H20N6O2S2.3ClH/c1-30(27,28)19-5-4-18(29-19)25-6-8-26(9-7-25)20-16-10-14(15-11-23-24-12-15)2-3-17(16)21-13-22-20;;;/h2-5,10-13H,6-9H2,1H3,(H,23,24);3*1H