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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methylbenzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C)SC

InChI

InChI=1S/C20H19N3O2S/c1-13-7-4-5-10-17(13)19(24)25-16-9-6-8-15(12-16)22-18-11-14(2)21-20(23-18)26-3/h4-12H,1-3H3,(H,21,22,23)