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

Systemtic Name: 2-[(4-oxidanylidene-5-pentyl-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(4-oxo-5-pentyl-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(4-oxo-5-pentyl-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(4-oxo-5-pentyl-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-amyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3S/c1-3-5-8-13-16-18(15-11-9-7-10-12-15)22-21(23-19(16)24)27-17(20(25)26)14-6-4-2/h7,9-12,16-18,21-22H,3-6,8,13-14H2,1-2H3,(H,23,24)(H,25,26)