2-[[5-bromanyl-2-[(4-morpholin-4-yl-2-propyl-phenyl)amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide

Systemtic Name: 2-[[5-bromanyl-2-[(4-morpholin-4-yl-2-propyl-phenyl)amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 2-[[5-bromo-2-(4-morpholino-2-propyl-anilino)pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 2-[[5-bromo-2-[4-(4-morpholinyl)-2-propylanilino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide IUPAC Name: 2-[[5-bromo-2-(4-morpholin-4-yl-2-propylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 2-[[5-bromo-2-(4-morpholino-2-propyl-anilino)pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Formula: C24H29BrN6O3S MolecularWeight: 561.49446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)NC)Br

InChI

InChI=1S/C24H29BrN6O3S/c1-3-6-17-15-18(31-11-13-34-14-12-31)9-10-20(17)29-24-27-16-19(25)23(30-24)28-21-7-4-5-8-22(21)35(32,33)26-2/h4-5,7-10,15-16,26H,3,6,11-14H2,1-2H3,(H2,27,28,29,30)