[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-chloranylpropanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-chloranylpropanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-chloropropanoate CAS Name: 3-chloropropanoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-chloropropanoate Traditional Name: 3-chloropropionic acid [3-[[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:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCCl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCCl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-27-20-23-17(14-6-3-2-4-7-14)13-18(24-20)22-15-8-5-9-16(12-15)26-19(25)10-11-21/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)