6-(5-methyl-1H-pyrazol-4-yl)-2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline trihydrochloride

Systemtic Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline trihydrochloride Openeye Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-[4-(4-methylsulfonylphenoxy)-1-piperidyl]quinazoline trihydrochloride CAS Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]quinazoline trihydrochloride IUPAC Name: 6-(5-methyl-1H-pyrazol-4-yl)-2-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline trihydrochloride Traditional Name: 2-[4-(4-mesylphenoxy)piperidino]-6-(5-methyl-1H-pyrazol-4-yl)quinazoline trihydrochloride Formula: C24H28Cl3N5O3S MolecularWeight: 572.93482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C2=CC3=CN=C(N=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=NN1)C2=CC3=CN=C(N=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C.Cl.Cl.Cl

InChI

InChI=1S/C24H25N5O3S.3ClH/c1-16-22(15-26-28-16)17-3-8-23-18(13-17)14-25-24(27-23)29-11-9-20(10-12-29)32-19-4-6-21(7-5-19)33(2,30)31;;;/h3-8,13-15,20H,9-12H2,1-2H3,(H,26,28);3*1H