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

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(2,5-dimethylbenzyl)-4-keto-6-methyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-5-6-7-17(19(24)25)26-20-21-14(4)16(18(23)22-20)11-15-10-12(2)8-9-13(15)3/h8-10,14,16-17,20-21H,5-7,11H2,1-4H3,(H,22,23)(H,24,25)