6-ethyl-3-methyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]hexan-2-yl]sulfanyl-pyrimidin-4-one

Systemtic Name: 6-ethyl-3-methyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]hexan-2-yl]sulfanyl-pyrimidin-4-one Openeye Name: 2-[1-(4-benzylpiperidine-1-carbonyl)pentylsulfanyl]-6-ethyl-3-methyl-pyrimidin-4-one CAS Name: 6-ethyl-3-methyl-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]hexan-2-yl]thio]-4-pyrimidinone IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxohexan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one Traditional Name: 2-[1-(4-benzylpiperidine-1-carbonyl)pentylthio]-6-ethyl-3-methyl-pyrimidin-4-one Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

InChI

InChI=1S/C25H35N3O2S/c1-4-6-12-22(31-25-26-21(5-2)18-23(29)27(25)3)24(30)28-15-13-20(14-16-28)17-19-10-8-7-9-11-19/h7-11,18,20,22H,4-6,12-17H2,1-3H3