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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)-3-piperidyl]propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[1-[2-(methylthio)-4-pyrimidinyl]-3-piperidinyl]propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide Traditional Name: N-m-anisyl-3-[1-[2-(methylthio)pyrimidin-4-yl]-3-piperidyl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)C3=NC(=NC=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)C3=NC(=NC=C3)SC

InChI

InChI=1S/C21H28N4O2S/c1-27-18-7-3-5-17(13-18)14-23-20(26)9-8-16-6-4-12-25(15-16)19-10-11-22-21(24-19)28-2/h3,5,7,10-11,13,16H,4,6,8-9,12,14-15H2,1-2H3,(H,23,26)