N-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]-3-phenyl-propanamide

Systemtic Name: N-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]-3-phenyl-propanamide Openeye Name: N-[1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-4-piperidyl]-3-phenyl-propanamide CAS Name: N-[1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinyl]-3-phenylpropanamide IUPAC Name: N-[1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide Traditional Name: N-[1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-4-piperidyl]-3-phenyl-propionamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-28-20-22-13-16(21)18(24-20)19(27)25-11-9-15(10-12-25)23-17(26)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,23,26)