5-[[5-bromanyl-4-(1-oxidanylpropan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide

Systemtic Name: 5-[[5-bromanyl-4-(1-oxidanylpropan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Openeye Name: 5-[[5-bromo-4-(2-hydroxy-1-methyl-ethyl)sulfanyl-pyrimidin-2-yl]amino]pyridine-2-sulfonamide CAS Name: 5-[[5-bromo-4-(1-hydroxypropan-2-ylthio)-2-pyrimidinyl]amino]-2-pyridinesulfonamide IUPAC Name: 5-[[5-bromo-4-(1-hydroxypropan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Traditional Name: 5-[[5-bromo-4-[(2-hydroxy-1-methyl-ethyl)thio]pyrimidin-2-yl]amino]pyridine-2-sulfonamide Formula: C12H14BrN5O3S2 MolecularWeight: 420.30526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN5O3S2/c1-7(6-19)22-11-9(13)5-16-12(18-11)17-8-2-3-10(15-4-8)23(14,20)21/h2-5,7,19H,6H2,1H3,(H2,14,20,21)(H,16,17,18)