3-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-one Openeye Name: 3-methyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-one CAS Name: 3-methyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinone IUPAC Name: 3-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-methyl-6-propyl-pyrimidin-4-one Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=N1)SCC(=O)N2CCC(CC2)C)C

Isomeric SMILES

CCCC1=CC(=O)N(C(=N1)SCC(=O)N2CCC(CC2)C)C

InChI

InChI=1S/C16H25N3O2S/c1-4-5-13-10-14(20)18(3)16(17-13)22-11-15(21)19-8-6-12(2)7-9-19/h10,12H,4-9,11H2,1-3H3