2-[3-[[5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-pyrimidin-4-yl]amino]phenyl]ethanol

Systemtic Name: 2-[3-[[5-[[(2-bromophenyl)amino]methyl]-2-methylsulfanyl-pyrimidin-4-yl]amino]phenyl]ethanol Openeye Name: 2-[3-[[5-[(2-bromoanilino)methyl]-2-methylsulfanyl-pyrimidin-4-yl]amino]phenyl]ethanol CAS Name: 2-[3-[[5-[(2-bromoanilino)methyl]-2-(methylthio)-4-pyrimidinyl]amino]phenyl]ethanol IUPAC Name: 2-[3-[[5-[(2-bromoanilino)methyl]-2-methylsulfanylpyrimidin-4-yl]amino]phenyl]ethanol Traditional Name: 2-[3-[[5-[(2-bromoanilino)methyl]-2-(methylthio)pyrimidin-4-yl]amino]phenyl]ethanol Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=CC(=C2)CCO)CNC3=CC=CC=C3Br

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=CC(=C2)CCO)CNC3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4OS/c1-27-20-23-13-15(12-22-18-8-3-2-7-17(18)21)19(25-20)24-16-6-4-5-14(11-16)9-10-26/h2-8,11,13,22,26H,9-10,12H2,1H3,(H,23,24,25)