sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate

Systemtic Name: sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate Openeye Name: sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate CAS Name: sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate IUPAC Name: sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate Traditional Name: sodium (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrate Formula: C6H11N2NaO3 MolecularWeight: 182.15291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCC(N1)C(=O)[O-].O.[Na+]

Isomeric SMILES

CC1=NCC[C@H](N1)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C6H10N2O2.Na.H2O/c1-4-7-3-2-5(8-4)6(9)10;;/h5H,2-3H2,1H3,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t5-;;/m0../s1