[[5-[5-(3-azanylprop-1-ynyl)-2-oxidanylidene-1H-pyridin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-[5-(3-azanylprop-1-ynyl)-2-oxidanylidene-1H-pyridin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-[5-(3-aminoprop-1-ynyl)-2-oxo-1H-pyridin-3-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-[5-(3-aminoprop-1-ynyl)-2-oxo-1H-pyridin-3-yl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-[5-(3-aminoprop-1-ynyl)-2-oxo-1H-pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-[5-(3-aminoprop-1-ynyl)-2-keto-1H-pyridin-3-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C13H19N2O14P3 MolecularWeight: 520.216243

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC=C1C#CCN)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=C(C(=O)NC=C1C#CCN)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C13H19N2O14P3/c14-3-1-2-7-4-8(13(18)15-5-7)12-11(17)10(16)9(27-12)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-5,9-12,16-17H,3,6,14H2,(H,15,18)(H,22,23)(H,24,25)(H2,19,20,21)