ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 330785-81-4

Formula: C16H18ClN3O3S

SMILES: CCOC(=O)C1=CN=C(SC)N=C1NCC1=CC(Cl)=C(OC)C=C1

IUPAC: ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)

Composition: C (52.24%), H (4.93%), Cl (9.64%), N (11.42%), O (13.05%), S (8.72%)

Molar Mass: 367.85

Atom Count: 42

Heavy Atom Count: 24