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

Systemtic Name: 3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-one diphosphate Openeye Name: 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-thiazol-2-one diphosphate CAS Name: 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-ethyl-4-methyl-2-thiazolone diphosphate IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-one diphosphate Traditional Name: 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-4-thiazolin-2-one diphosphate Formula: C12H16N4O9P2S-6 MolecularWeight: 454.289362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)S1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC1=C(N(C(=O)S1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C12H16N4OS.2H3O4P/c1-4-10-7(2)16(12(17)18-10)6-9-5-14-8(3)15-11(9)13;2*1-5(2,3)4/h5H,4,6H2,1-3H3,(H2,13,14,15);2*(H3,1,2,3,4)/p-6