methyl 2-chloranyl-4-(4-oxidanylpiperidin-1-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-chloranyl-4-(4-oxidanylpiperidin-1-yl)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: methyl 4-benzylsulfanyl-2-chloro-6-(4-hydroxy-1-piperidyl)pyrimidine-5-carboxylate CAS Name: 2-chloro-4-(4-hydroxy-1-piperidinyl)-6-(phenylmethylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-chloro-6-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-chloro-6-(4-hydroxypiperidino)pyrimidine-5-carboxylic acid methyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)Cl)N3CCC(CC3)O

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)Cl)N3CCC(CC3)O

InChI

InChI=1S/C18H20ClN3O3S/c1-25-17(24)14-15(22-9-7-13(23)8-10-22)20-18(19)21-16(14)26-11-12-5-3-2-4-6-12/h2-6,13,23H,7-11H2,1H3