5-[(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine diphosphate

Systemtic Name: 5-[(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine diphosphate Openeye Name: 5-[(5-ethyl-4-methyl-thiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-amine diphosphate CAS Name: 5-[(5-ethyl-4-methyl-3-thiazol-3-iumyl)methyl]-2-methyl-4-pyrimidinamine diphosphate IUPAC Name: 5-[(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine diphosphate Traditional Name: [5-[(5-ethyl-4-methyl-thiazol-3-ium-3-yl)methyl]-2-methyl-pyrimidin-4-yl]amine diphosphate Formula: C12H17N4O8P2S-5 MolecularWeight: 439.297902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C12H17N4S.2H3O4P/c1-4-11-8(2)16(7-17-11)6-10-5-14-9(3)15-12(10)13;2*1-5(2,3)4/h5,7H,4,6H2,1-3H3,(H2,13,14,15);2*(H3,1,2,3,4)/q+1;;/p-6