5-chloranyl-N-(3-ethylpent-1-yn-3-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-ethylpent-1-yn-3-yl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(1,1-diethylprop-2-ynyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-ethylpent-1-yn-3-yl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-ethylpent-1-yn-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(1,1-diethylprop-2-ynyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C13H16ClN3OS/c1-5-13(6-2,7-3)17-11(18)10-9(14)8-15-12(16-10)19-4/h1,8H,6-7H2,2-4H3,(H,17,18)