3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 3-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-methyl-2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)N)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)N)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H27N7O2S/c1-16-15-24-22(27-21(16)25-18-4-3-5-20(14-18)32(23,30)31)26-17-6-8-19(9-7-17)29-12-10-28(2)11-13-29/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)