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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2S/c1-10-9-13(19-15(17-10)22-2)18-11-3-5-12(6-4-11)21-14(20)7-8-16/h3-6,9H,7-8H2,1-2H3,(H,17,18,19)