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

Systemtic Name: 2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]sulfanyl-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]sulfanyl-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one CAS Name: 2-[[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]thio]-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]sulfanyl-5-benzyl-6-(methoxymethyl)-3-methylpyrimidin-4-one Traditional Name: 2-[[4-(4-acetylpiperazino)-4-keto-butyl]thio]-5-benzyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C24H32N4O4S/c1-18(29)27-11-13-28(14-12-27)22(30)10-7-15-33-24-25-21(17-32-3)20(23(31)26(24)2)16-19-8-5-4-6-9-19/h4-6,8-9H,7,10-17H2,1-3H3