sodium 6-methyl-4-oxidanylidene-1H-pyrimidine-2-thiolate trihydrate

Systemtic Name: sodium 6-methyl-4-oxidanylidene-1H-pyrimidine-2-thiolate trihydrate Openeye Name: sodium 6-methyl-4-oxo-1H-pyrimidine-2-thiolate trihydrate CAS Name: sodium 6-methyl-4-oxo-1H-pyrimidine-2-thiolate trihydrate IUPAC Name: sodium 6-methyl-4-oxo-1H-pyrimidine-2-thiolate trihydrate Traditional Name: sodium 4-keto-6-methyl-1H-pyrimidine-2-thiolate trihydrate Formula: C5H11N2NaO4S MolecularWeight: 218.20661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)[S-].O.O.O.[Na+]

Isomeric SMILES

CC1=CC(=O)N=C(N1)[S-].O.O.O.[Na+]

InChI

InChI=1S/C5H6N2OS.Na.3H2O/c1-3-2-4(8)7-5(9)6-3;;;;/h2H,1H3,(H2,6,7,8,9);;3*1H2/q;+1;;;/p-1