2-methyl-6-[1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[1-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-6-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[1-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-6-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-6-[1-[5-[(methylthio)methyl]-2-furoyl]-4-piperidyl]-1H-pyrimidin-4-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CCN(CC2)C(=O)C3=CC=C(O3)CSC

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2CCN(CC2)C(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C17H21N3O3S/c1-11-18-14(9-16(21)19-11)12-5-7-20(8-6-12)17(22)15-4-3-13(23-15)10-24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,19,21)