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

Systemtic Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-(1-naphthylmethyl)-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-2-3-16-23(26(31)32)33-27-28-24(19-11-5-4-6-12-19)22(25(30)29-27)17-20-14-9-13-18-10-7-8-15-21(18)20/h4-15,22-24,27-28H,2-3,16-17H2,1H3,(H,29,30)(H,31,32)