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

Systemtic Name: 4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 4-[4-(2-mesylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CCCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CCCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

InChI

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