2-[[5-chloranyl-2-[(2-ethyl-4-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzenesulfonamide

Systemtic Name: 2-[[5-chloranyl-2-[(2-ethyl-4-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzenesulfonamide Openeye Name: 2-[[5-chloro-2-(2-ethyl-4-morpholino-anilino)pyrimidin-4-yl]amino]-N-(1-ethylpropyl)benzenesulfonamide CAS Name: 2-[[5-chloro-2-[2-ethyl-4-(4-morpholinyl)anilino]-4-pyrimidinyl]amino]-N-pentan-3-ylbenzenesulfonamide IUPAC Name: 2-[[5-chloro-2-(2-ethyl-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-pentan-3-ylbenzenesulfonamide Traditional Name: 2-[[5-chloro-2-(2-ethyl-4-morpholino-anilino)pyrimidin-4-yl]amino]-N-(1-ethylpropyl)benzenesulfonamide Formula: C27H35ClN6O3S MolecularWeight: 559.1232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC(CC)CC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC(CC)CC)Cl

InChI

InChI=1S/C27H35ClN6O3S/c1-4-19-17-21(34-13-15-37-16-14-34)11-12-23(19)31-27-29-18-22(28)26(32-27)30-24-9-7-8-10-25(24)38(35,36)33-20(5-2)6-3/h7-12,17-18,20,33H,4-6,13-16H2,1-3H3,(H2,29,30,31,32)