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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CC2=NC(=NC3=C2C=C(C=C3)N4C=CC=N4)N5CCNCC5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CC2=NC(=NC3=C2C=C(C=C3)N4C=CC=N4)N5CCNCC5.Cl

InChI

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