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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[[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(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

InChI

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