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

Systemtic Name: 3-[[4-oxidanylidene-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 3-(5-benzyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[[4-oxo-6-phenyl-5-(phenylmethyl)-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 3-[(5-benzyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-benzyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(NC(NC2=O)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2C(NC(NC2=O)SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c23-17(24)11-12-26-20-21-18(15-9-5-2-6-10-15)16(19(25)22-20)13-14-7-3-1-4-8-14/h1-10,16,18,20-21H,11-13H2,(H,22,25)(H,23,24)