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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homoveratryl-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SC)OC

InChI

InChI=1S/C16H18ClN3O3S/c1-22-12-5-4-10(8-13(12)23-2)6-7-18-15(21)14-11(17)9-19-16(20-14)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)