[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C18H20ClN3O5S/c1-25-15-10-16(26-2)22-18(21-15)20-14(23)11-27-17(24)4-3-9-28-13-7-5-12(19)6-8-13/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,21,22,23)