6-(methoxymethyl)-3-methyl-2-(4-oxidanylidene-4-piperidin-1-yl-butyl)sulfanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 6-(methoxymethyl)-3-methyl-2-(4-oxidanylidene-4-piperidin-1-yl-butyl)sulfanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-6-(methoxymethyl)-3-methyl-2-[4-oxo-4-(1-piperidyl)butyl]sulfanyl-pyrimidin-4-one CAS Name: 6-(methoxymethyl)-3-methyl-2-[[4-oxo-4-(1-piperidinyl)butyl]thio]-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-6-(methoxymethyl)-3-methyl-2-(4-oxo-4-piperidin-1-ylbutyl)sulfanylpyrimidin-4-one Traditional Name: 5-benzyl-2-[(4-keto-4-piperidino-butyl)thio]-6-(methoxymethyl)-3-methyl-pyrimidin-4-one Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)N2CCCCC2)COC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)N2CCCCC2)COC)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-25-22(28)19(16-18-10-5-3-6-11-18)20(17-29-2)24-23(25)30-15-9-12-21(27)26-13-7-4-8-14-26/h3,5-6,10-11H,4,7-9,12-17H2,1-2H3