6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline

Systemtic Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Openeye Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline CAS Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]quinazoline IUPAC Name: 6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Traditional Name: 4-[4-(3-mesylphenyl)piperazino]-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]quinazoline Formula: C29H28N6O3S MolecularWeight: 540.63602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4N5CCN(CC5)C6=CC(=CC=C6)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4N5CCN(CC5)C6=CC(=CC=C6)S(=O)(=O)C

InChI

InChI=1S/C29H28N6O3S/c1-38-23-9-6-20(7-10-23)28-26(18-32-33-28)21-8-11-27-25(16-21)29(31-19-30-27)35-14-12-34(13-15-35)22-4-3-5-24(17-22)39(2,36)37/h3-11,16-19H,12-15H2,1-2H3,(H,32,33)