4-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 4-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-(3-tert-butylsulfonylphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 4-[4-(3-tert-butylsulfonylphenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

InChI

InChI=1S/C25H28N6O2S/c1-25(2,3)34(32,33)21-6-4-5-20(14-21)30-9-11-31(12-10-30)24-22-13-18(19-15-28-29-16-19)7-8-23(22)26-17-27-24/h4-8,13-17H,9-12H2,1-3H3,(H,28,29)