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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O2S/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)