5-chloranyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(diethoxyphosphorylmethyl)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H21ClN3O4PS MolecularWeight: 429.858101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)OCC

InChI

InChI=1S/C17H21ClN3O4PS/c1-4-24-26(23,25-5-2)11-12-6-8-13(9-7-12)20-16(22)15-14(18)10-19-17(21-15)27-3/h6-10H,4-5,11H2,1-3H3,(H,20,22)