4-[5-bromanyl-6-[(2,2-dimethyl-3-oxidanyl-propyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[5-bromanyl-6-[(2,2-dimethyl-3-oxidanyl-propyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[5-bromo-6-[(3-hydroxy-2,2-dimethyl-propyl)amino]-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[5-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[5-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[5-bromo-6-[(3-hydroxy-2,2-dimethyl-propyl)amino]-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C16H21BrN4O3S3 MolecularWeight: 493.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC)Br)CO

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC)Br)CO

InChI

InChI=1S/C16H21BrN4O3S3/c1-16(2,8-22)7-21-14-10(17)4-9(6-20-14)27(23,24)12-5-11(13(18)19)26-15(12)25-3/h4-6,22H,7-8H2,1-3H3,(H3,18,19)(H,20,21)