4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(3-pyridyl)quinazoline Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C

InChI

InChI=1S/C25H25N5O2S/c1-18-9-10-23(19(2)16-18)33(31,32)30-14-12-29(13-15-30)25-21-7-3-4-8-22(21)27-24(28-25)20-6-5-11-26-17-20/h3-11,16-17H,12-15H2,1-2H3