5-chloranyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-(furan-3-carbonyl)-4-piperidyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-(3-furoyl)-4-piperidyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2CCN(CC2)C(=O)C3=COC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2CCN(CC2)C(=O)C3=COC=C3)Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-25-16-18-8-12(17)13(20-16)14(22)19-11-2-5-21(6-3-11)15(23)10-4-7-24-9-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,19,22)