5-chloranyl-N-[1-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-5-24-14-8-7-12(9-15(14)25-6-2)11(3)21-17(23)16-13(19)10-20-18(22-16)26-4/h7-11H,5-6H2,1-4H3,(H,21,23)