4-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-yl-quinazoline hydrochloride

Systemtic Name: 4-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-yl-quinazoline hydrochloride Openeye Name: 4-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-yl-quinazoline hydrochloride CAS Name: 4-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]-6-(1-pyrazolyl)quinazoline hydrochloride IUPAC Name: 4-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylquinazoline hydrochloride Traditional Name: 4-[4-(2-mesylbenzyl)piperazino]-6-pyrazol-1-yl-quinazoline hydrochloride Formula: C23H25ClN6O2S MolecularWeight: 485.0016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)N5C=CC=N5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)N5C=CC=N5.Cl

InChI

InChI=1S/C23H24N6O2S.ClH/c1-32(30,31)22-6-3-2-5-18(22)16-27-11-13-28(14-12-27)23-20-15-19(29-10-4-9-26-29)7-8-21(20)24-17-25-23;/h2-10,15,17H,11-14,16H2,1H3;1H