5-chloranyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SC)OCC

InChI

InChI=1S/C18H22ClN3O3S/c1-4-24-14-7-6-12(10-15(14)25-5-2)8-9-20-17(23)16-13(19)11-21-18(22-16)26-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,23)