1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione triphosphate

Systemtic Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione triphosphate Openeye Name: 1-[4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione triphosphate CAS Name: 1-[4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione triphosphate IUPAC Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione triphosphate Traditional Name: 1-(4-azido-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone triphosphate Formula: C10H13N5O16P3-9 MolecularWeight: 552.155403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H13N5O4.3H3O4P/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;3*1-5(2,3)4/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);3*(H3,1,2,3,4)/p-9