[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,5-bis(chloranyl)benzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H15Cl2N3O2S MolecularWeight: 420.3123

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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(=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O2S/c1-11-9-17(24-19(22-11)27-2)23-13-4-6-14(7-5-13)26-18(25)15-10-12(20)3-8-16(15)21/h3-10H,1-2H3,(H,22,23,24)