2-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 2-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 2-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 2-[4-(3-tert-butylsulfonylphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 2-[4-(3-tert-butylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 2-[4-(3-tert-butylsulfonylphenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline Formula: C25H28N6O2S MolecularWeight: 476.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

InChI

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