2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[(4-keto-6-methyl-5-p-anisyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)OC)C

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C19H28N2O4S/c1-4-5-6-16(18(23)24)26-19-20-12(2)15(17(22)21-19)11-13-7-9-14(25-3)10-8-13/h7-10,12,15-16,19-20H,4-6,11H2,1-3H3,(H,21,22)(H,23,24)