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

Systemtic Name: methyl 3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S/c1-9-7-12(17-14(15-9)20-3)16-11-6-4-5-10(8-11)13(18)19-2/h4-8H,1-3H3,(H,15,16,17)