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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,6-bis(chloranyl)-2-methoxy-benzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxy-benzoate CAS Name: 3,6-dichloro-2-methoxybenzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxybenzoate Traditional Name: 3,6-dichloro-2-methoxy-benzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H19Cl2N3O3S MolecularWeight: 512.40766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)Cl)Cl

InChI

InChI=1S/C25H19Cl2N3O3S/c1-32-23-19(27)12-11-18(26)22(23)24(31)33-17-10-6-9-16(13-17)28-21-14-20(29-25(30-21)34-2)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,28,29,30)