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

Systemtic Name: 2-[[5-(3-methylbutyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-(5-isopentyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[[5-(3-methylbutyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-(3-methylbutyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[(5-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3S/c1-4-5-11-17(20(25)26)27-21-22-18(15-9-7-6-8-10-15)16(19(24)23-21)13-12-14(2)3/h6-10,14,16-18,21-22H,4-5,11-13H2,1-3H3,(H,23,24)(H,25,26)