3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid sulfate

Systemtic Name: 3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid sulfate Openeye Name: 3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoic acid sulfate CAS Name: 3-(5-methyl-2,4-dioxo-1-pyrimidinyl)propanoic acid sulfate IUPAC Name: 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoic acid sulfate Traditional Name: 3-(2,4-diketo-5-methyl-pyrimidin-1-yl)propionic acid sulfate Formula: C8H10N2O8S-2 MolecularWeight: 294.2386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CCC(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CCC(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H10N2O4.H2O4S/c1-5-4-10(3-2-6(11)12)8(14)9-7(5)13;1-5(2,3)4/h4H,2-3H2,1H3,(H,11,12)(H,9,13,14);(H2,1,2,3,4)/p-2