4-azanyl-5-(3-azanylprop-1-ynyl)-1-(2-hydroxyethyloxymethyl)pyrimidin-2-one triphosphate

Systemtic Name: 4-azanyl-5-(3-azanylprop-1-ynyl)-1-(2-hydroxyethyloxymethyl)pyrimidin-2-one triphosphate Openeye Name: 4-amino-5-(3-aminoprop-1-ynyl)-1-(2-hydroxyethoxymethyl)pyrimidin-2-one triphosphate CAS Name: 4-amino-5-(3-aminoprop-1-ynyl)-1-(2-hydroxyethoxymethyl)-2-pyrimidinone triphosphate IUPAC Name: 4-amino-5-(3-aminoprop-1-ynyl)-1-(2-hydroxyethoxymethyl)pyrimidin-2-one triphosphate Traditional Name: 4-amino-5-(3-aminoprop-1-ynyl)-1-(2-hydroxyethoxymethyl)pyrimidin-2-one triphosphate Formula: C10H14N4O15P3-9 MolecularWeight: 523.157243

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1COCCO)N)C#CCN.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=C(C(=NC(=O)N1COCCO)N)C#CCN.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H14N4O3.3H3O4P/c11-3-1-2-8-6-14(7-17-5-4-15)10(16)13-9(8)12;3*1-5(2,3)4/h6,15H,3-5,7,11H2,(H2,12,13,16);3*(H3,1,2,3,4)/p-9