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

Systemtic Name: 2-[1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 2-[1-(4-acetylpiperazine-1-carbonyl)butylsulfanyl]-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one CAS Name: 2-[[1-(4-acetyl-1-piperazinyl)-1-oxopentan-2-yl]thio]-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 2-[1-(4-acetylpiperazin-1-yl)-1-oxopentan-2-yl]sulfanyl-5-benzyl-6-(methoxymethyl)-3-methylpyrimidin-4-one Traditional Name: 2-[1-(4-acetylpiperazine-1-carbonyl)butylthio]-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C(=O)C)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C(=O)C)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C25H34N4O4S/c1-5-9-22(24(32)29-14-12-28(13-15-29)18(2)30)34-25-26-21(17-33-4)20(23(31)27(25)3)16-19-10-7-6-8-11-19/h6-8,10-11,22H,5,9,12-17H2,1-4H3