5-chloranyl-N-[1-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-(4-ethoxyphenyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(4-ethoxyphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(1-p-phenetylethyl)pyrimidine-4-carboxamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2S/c1-4-22-12-7-5-11(6-8-12)10(2)19-15(21)14-13(17)9-18-16(20-14)23-3/h5-10H,4H2,1-3H3,(H,19,21)