N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)-3-piperidyl]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: N-methyl-3-[1-[2-(methylthio)-4-pyrimidinyl]-3-piperidinyl]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: N-methyl-3-[1-[2-(methylthio)pyrimidin-4-yl]-3-piperidyl]-N-[2-(2-pyridyl)ethyl]propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C3=NC(=NC=C3)SC

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)CCC2CCCN(C2)C3=NC(=NC=C3)SC

InChI

InChI=1S/C21H29N5OS/c1-25(15-11-18-7-3-4-12-22-18)20(27)9-8-17-6-5-14-26(16-17)19-10-13-23-21(24-19)28-2/h3-4,7,10,12-13,17H,5-6,8-9,11,14-16H2,1-2H3