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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzoate CAS Name: benzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] benzoate Traditional Name: benzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H17N3O2S MolecularWeight: 351.42218

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c1-13-11-17(22-19(20-13)25-2)21-15-9-6-10-16(12-15)24-18(23)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,20,21,22)