2-methyl-3-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid

Systemtic Name: 2-methyl-3-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-methyl-3-[4-methyl-2-(1-naphthylmethylsulfanyl)-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 2-methyl-3-[4-methyl-2-(1-naphthalenylmethylthio)-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-methyl-3-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-(1-naphthylmethylthio)hexahydropyrimidin-5-yl]-2-methyl-propionic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=CC=CC3=CC=CC=C32)CC(C)C(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=CC=CC3=CC=CC=C32)CC(C)C(=O)O

InChI

InChI=1S/C20H24N2O3S/c1-12(19(24)25)10-17-13(2)21-20(22-18(17)23)26-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,12-13,17,20-21H,10-11H2,1-2H3,(H,22,23)(H,24,25)