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

Systemtic Name: 2-[(5-heptyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(5-heptyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-heptyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-3-4-5-6-10-13-16-17(15-11-8-7-9-12-15)21-20(22-18(16)23)26-14(2)19(24)25/h7-9,11-12,14,16-17,20-21H,3-6,10,13H2,1-2H3,(H,22,23)(H,24,25)