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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3,6-bis(chloranyl)-2-methoxy-benzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxy-benzoate CAS Name: 3,6-dichloro-2-methoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxybenzoate Traditional Name: 3,6-dichloro-2-methoxy-benzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3OC)Cl)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3OC)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O3S/c1-11-10-16(25-20(23-11)29-3)24-12-4-6-13(7-5-12)28-19(26)17-14(21)8-9-15(22)18(17)27-2/h4-10H,1-3H3,(H,23,24,25)