4-[[5-iodanyl-4-[[(2R)-3-methyl-1-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-iodanyl-4-[[(2R)-3-methyl-1-oxidanyl-butan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[[(1R)-1-(hydroxymethyl)-2-methyl-propyl]amino]-5-iodo-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-iodo-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-iodopyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-iodo-4-[[(1R)-2-methyl-1-methylol-propyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C15H20IN5O3S MolecularWeight: 477.32047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC(=NC=C1I)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)[C@H](CO)NC1=NC(=NC=C1I)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H20IN5O3S/c1-9(2)13(8-22)20-14-12(16)7-18-15(21-14)19-10-3-5-11(6-4-10)25(17,23)24/h3-7,9,13,22H,8H2,1-2H3,(H2,17,23,24)(H2,18,19,20,21)/t13-/m0/s1