4-[[5-bromanyl-4-[[(2R,3R)-3-oxidanylbutan-2-yl]amino]pyrimidin-2-yl]amino]-2,6-dimethyl-benzenesulfonamide

Systemtic Name: 4-[[5-bromanyl-4-[[(2R,3R)-3-oxidanylbutan-2-yl]amino]pyrimidin-2-yl]amino]-2,6-dimethyl-benzenesulfonamide Openeye Name: 4-[[5-bromo-4-[[(1R,2R)-2-hydroxy-1-methyl-propyl]amino]pyrimidin-2-yl]amino]-2,6-dimethyl-benzenesulfonamide CAS Name: 4-[[5-bromo-4-[[(2R,3R)-3-hydroxybutan-2-yl]amino]-2-pyrimidinyl]amino]-2,6-dimethylbenzenesulfonamide IUPAC Name: 4-[[5-bromo-4-[[(2R,3R)-3-hydroxybutan-2-yl]amino]pyrimidin-2-yl]amino]-2,6-dimethylbenzenesulfonamide Traditional Name: 4-[[5-bromo-4-[[(1R,2R)-2-hydroxy-1-methyl-propyl]amino]pyrimidin-2-yl]amino]-2,6-dimethyl-benzenesulfonamide Formula: C16H22BrN5O3S MolecularWeight: 444.34658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N)C)NC2=NC=C(C(=N2)NC(C)C(C)O)Br

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N)C)NC2=NC=C(C(=N2)N[C@H](C)[C@@H](C)O)Br

InChI

InChI=1S/C16H22BrN5O3S/c1-8-5-12(6-9(2)14(8)26(18,24)25)21-16-19-7-13(17)15(22-16)20-10(3)11(4)23/h5-7,10-11,23H,1-4H3,(H2,18,24,25)(H2,19,20,21,22)/t10-,11-/m1/s1