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

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[4-methyl-6-oxo-5-(p-tolylmethyl)hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-6-methyl-5-(4-methylbenzyl)hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C19H28N2O3S MolecularWeight: 364.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-4-5-6-16(18(23)24)25-19-20-13(3)15(17(22)21-19)11-14-9-7-12(2)8-10-14/h7-10,13,15-16,19-20H,4-6,11H2,1-3H3,(H,21,22)(H,23,24)