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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(4-oxo-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(4-keto-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C38H56N4O6S2 MolecularWeight: 729.00444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H28N2O3S/c2*1-3-5-12-15(18(23)24)25-19-20-16(13-10-7-6-8-11-13)14(9-4-2)17(22)21-19/h2*6-8,10-11,14-16,19-20H,3-5,9,12H2,1-2H3,(H,21,22)(H,23,24)