[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-bromanylbenzoate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-bromanylbenzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H16BrN3O2S MolecularWeight: 430.31824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrN3O2S/c1-12-9-17(23-19(21-12)26-2)22-15-7-4-8-16(11-15)25-18(24)13-5-3-6-14(20)10-13/h3-11H,1-2H3,(H,21,22,23)