5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-p-anisyl-pyrimidine-4-carboxamide Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C16H16ClN3O2S/c1-3-8-23-16-19-10-13(17)14(20-16)15(21)18-9-11-4-6-12(22-2)7-5-11/h3-7,10H,1,8-9H2,2H3,(H,18,21)