sodium 4,6-dimethylpyrimidine-2-thiolate trihydrate

Systemtic Name: sodium 4,6-dimethylpyrimidine-2-thiolate trihydrate Openeye Name: sodium 4,6-dimethylpyrimidine-2-thiolate trihydrate CAS Name: sodium 4,6-dimethyl-2-pyrimidinethiolate trihydrate IUPAC Name: sodium 4,6-dimethylpyrimidine-2-thiolate trihydrate Traditional Name: sodium 4,6-dimethylpyrimidine-2-thiolate trihydrate Formula: C6H13N2NaO3S MolecularWeight: 216.23379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2S.Na.3H2O/c1-4-3-5(2)8-6(9)7-4;;;;/h3H,1-2H3,(H,7,8,9);;3*1H2/q;+1;;;/p-1