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

Systemtic Name: 5-chloranyl-N-[2-methyl-5-(propanoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-methyl-5-(propanoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-methyl-5-(1-oxopropylamino)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-methyl-5-(propanoylamino)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2-methyl-5-propionamido-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H17ClN4O2S/c1-4-13(22)19-10-6-5-9(2)12(7-10)20-15(23)14-11(17)8-18-16(21-14)24-3/h5-8H,4H2,1-3H3,(H,19,22)(H,20,23)