2-(1,4-diazepan-1-yl)-4-(2-methylsulfonylphenyl)-6-(1H-pyrazol-4-yl)quinazoline hydrochloride

Systemtic Name: 2-(1,4-diazepan-1-yl)-4-(2-methylsulfonylphenyl)-6-(1H-pyrazol-4-yl)quinazoline hydrochloride Openeye Name: 2-(1,4-diazepan-1-yl)-4-(2-methylsulfonylphenyl)-6-(1H-pyrazol-4-yl)quinazoline hydrochloride CAS Name: 2-(1,4-diazepan-1-yl)-4-(2-methylsulfonylphenyl)-6-(1H-pyrazol-4-yl)quinazoline hydrochloride IUPAC Name: 2-(1,4-diazepan-1-yl)-4-(2-methylsulfonylphenyl)-6-(1H-pyrazol-4-yl)quinazoline hydrochloride Traditional Name: 2-(1,4-diazepan-1-yl)-4-(2-mesylphenyl)-6-(1H-pyrazol-4-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=C1C2=NC(=NC3=C2C=C(C=C3)C4=CNN=C4)N5CCCNCC5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=NC(=NC3=C2C=C(C=C3)C4=CNN=C4)N5CCCNCC5.Cl

InChI

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