N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)-3-piperidyl]propanamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-3-[1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3-piperidinyl]propanamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-3-[1-[2-(2-pyrimidylthio)acetyl]-3-piperidyl]propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)CCC2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H26N4O3S/c1-15-5-7-17(27-15)12-23-18(25)8-6-16-4-2-11-24(13-16)19(26)14-28-20-21-9-3-10-22-20/h3,5,7,9-10,16H,2,4,6,8,11-14H2,1H3,(H,23,25)