4-(5-bromanylpyrimidin-2-yl)oxy-N-decylsulfanyl-3-methyl-aniline

Systemtic Name: 4-(5-bromanylpyrimidin-2-yl)oxy-N-decylsulfanyl-3-methyl-aniline Openeye Name: 4-(5-bromopyrimidin-2-yl)oxy-N-decylsulfanyl-3-methyl-aniline CAS Name: N-[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylphenyl]-1-decanesulfenamide IUPAC Name: 4-(5-bromopyrimidin-2-yl)oxy-N-decylsulfanyl-3-methylaniline Traditional Name: [4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-(decylthio)amine Formula: C21H30BrN3OS MolecularWeight: 452.4514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSNC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C

Isomeric SMILES

CCCCCCCCCCSNC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C

InChI

InChI=1S/C21H30BrN3OS/c1-3-4-5-6-7-8-9-10-13-27-25-19-11-12-20(17(2)14-19)26-21-23-15-18(22)16-24-21/h11-12,14-16,25H,3-10,13H2,1-2H3