2-methyl-3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid

Systemtic Name: 2-methyl-3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid Openeye Name: 2-methyl-3-(4-thioxo-1,3,5-triazinan-1-yl)propanoic acid CAS Name: 2-methyl-3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid IUPAC Name: 2-methyl-3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid Traditional Name: 2-methyl-3-(4-thioxo-1,3,5-triazinan-1-yl)propionic acid Formula: C7H13N3O2S MolecularWeight: 203.26202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CNC(=S)NC1)C(=O)O

Isomeric SMILES

CC(CN1CNC(=S)NC1)C(=O)O

InChI

InChI=1S/C7H13N3O2S/c1-5(6(11)12)2-10-3-8-7(13)9-4-10/h5H,2-4H2,1H3,(H,11,12)(H2,8,9,13)