5-[[5-bromanyl-4-(3-oxidanylbutan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide

Systemtic Name: 5-[[5-bromanyl-4-(3-oxidanylbutan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Openeye Name: 5-[[5-bromo-4-(2-hydroxy-1-methyl-propyl)sulfanyl-pyrimidin-2-yl]amino]pyridine-2-sulfonamide CAS Name: 5-[[5-bromo-4-(3-hydroxybutan-2-ylthio)-2-pyrimidinyl]amino]-2-pyridinesulfonamide IUPAC Name: 5-[[5-bromo-4-(3-hydroxybutan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Traditional Name: 5-[[5-bromo-4-[(2-hydroxy-1-methyl-propyl)thio]pyrimidin-2-yl]amino]pyridine-2-sulfonamide Formula: C13H16BrN5O3S2 MolecularWeight: 434.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=NC(=NC=C1Br)NC2=CN=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

CC(C(C)SC1=NC(=NC=C1Br)NC2=CN=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C13H16BrN5O3S2/c1-7(20)8(2)23-12-10(14)6-17-13(19-12)18-9-3-4-11(16-5-9)24(15,21)22/h3-8,20H,1-2H3,(H2,15,21,22)(H,17,18,19)