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

Systemtic Name: 2-[4-(4-ethylpiperazin-1-yl)-4-oxidanylidene-butyl]sulfanyl-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[4-(4-ethylpiperazin-1-yl)-4-oxo-butyl]sulfanyl-6-(methoxymethyl)-3-methyl-pyrimidin-4-one CAS Name: 2-[[4-(4-ethyl-1-piperazinyl)-4-oxobutyl]thio]-6-(methoxymethyl)-3-methyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]sulfanyl-6-(methoxymethyl)-3-methylpyrimidin-4-one Traditional Name: 5-benzyl-2-[[4-(4-ethylpiperazino)-4-keto-butyl]thio]-6-(methoxymethyl)-3-methyl-pyrimidin-4-one Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C24H34N4O3S/c1-4-27-12-14-28(15-13-27)22(29)11-8-16-32-24-25-21(18-31-3)20(23(30)26(24)2)17-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3