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

Systemtic Name: methyl 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H18ClN3O2S/c1-13-11-18(23-17-10-6-4-8-15(17)19(25)26-2)24-20(22-13)27-12-14-7-3-5-9-16(14)21/h3-11H,12H2,1-2H3,(H,22,23,24)