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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(4-oxo-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-keto-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C32H44N4O6S2 MolecularWeight: 644.84496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2.CCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2.CCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/2C16H22N2O3S/c2*1-3-7-12-13(11-8-5-4-6-9-11)17-16(18-14(12)19)22-10(2)15(20)21/h2*4-6,8-10,12-13,16-17H,3,7H2,1-2H3,(H,18,19)(H,20,21)