2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-5-benzyl-6-(methoxymethyl)-3-methylpyrimidin-4-one Traditional Name: 2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C22H28N4O4S/c1-16(27)25-9-11-26(12-10-25)20(28)15-31-22-23-19(14-30-3)18(21(29)24(22)2)13-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3