[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranylpropanoate

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranylpropanoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloropropanoate Traditional Name: 2-chloropropionic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)Cl

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)Cl

InChI

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