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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-chloranylpropanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-chloropropanoate Traditional Name: 2-chloropropionic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C15H16ClN3O2S MolecularWeight: 337.82444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2S/c1-9-8-13(19-15(17-9)22-3)18-11-4-6-12(7-5-11)21-14(20)10(2)16/h4-8,10H,1-3H3,(H,17,18,19)