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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(5-allyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(4-oxo-6-phenyl-5-prop-2-enyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-5-prop-2-enyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-allyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-3-7-12-13(11-8-5-4-6-9-11)17-16(18-14(12)19)22-10(2)15(20)21/h3-6,8-10,12-13,16-17H,1,7H2,2H3,(H,18,19)(H,20,21)