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

Systemtic Name: 5-[[5-bromanyl-4-(1-oxidanylbutan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Openeye Name: 5-[[5-bromo-4-[1-(hydroxymethyl)propylsulfanyl]pyrimidin-2-yl]amino]pyridine-2-sulfonamide CAS Name: 5-[[5-bromo-4-(1-hydroxybutan-2-ylthio)-2-pyrimidinyl]amino]-2-pyridinesulfonamide IUPAC Name: 5-[[5-bromo-4-(1-hydroxybutan-2-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Traditional Name: 5-[[5-bromo-4-(1-methylolpropylthio)pyrimidin-2-yl]amino]pyridine-2-sulfonamide Formula: C13H16BrN5O3S2 MolecularWeight: 434.33184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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