2-[[5-chloranyl-2-[[2-ethyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclobutyl-benzenesulfonamide

Systemtic Name: 2-[[5-chloranyl-2-[[2-ethyl-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-cyclobutyl-benzenesulfonamide Openeye Name: 2-[[5-chloro-2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-cyclobutyl-benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-ethyl-4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]-N-cyclobutylbenzenesulfonamide IUPAC Name: 2-[[5-chloro-2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-cyclobutylbenzenesulfonamide Traditional Name: 2-[[5-chloro-2-[2-ethyl-4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]-N-cyclobutyl-benzenesulfonamide Formula: C27H34ClN7O2S MolecularWeight: 556.12256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N2CCN(CC2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC5CCC5)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)N2CCN(CC2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC5CCC5)Cl

InChI

InChI=1S/C27H34ClN7O2S/c1-3-19-17-21(35-15-13-34(2)14-16-35)11-12-23(19)31-27-29-18-22(28)26(32-27)30-24-9-4-5-10-25(24)38(36,37)33-20-7-6-8-20/h4-5,9-12,17-18,20,33H,3,6-8,13-16H2,1-2H3,(H2,29,30,31,32)