[5-[4-azanyl-5-[3-[(6-azanyloxypyridin-3-yl)carbonylamino]prop-1-ynyl]-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]oxy [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [5-[4-azanyl-5-[3-[(6-azanyloxypyridin-3-yl)carbonylamino]prop-1-ynyl]-2-oxidanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]oxy [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-[4-amino-5-[3-[(6-aminooxypyridine-3-carbonyl)amino]prop-1-ynyl]-2-oxo-pyrimidin-1-yl]-4-hydroxy-tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [[5-[4-amino-5-[3-[[(6-aminooxy-3-pyridinyl)-oxomethyl]amino]prop-1-ynyl]-2-oxo-1-pyrimidinyl]-4-hydroxy-2-oxolanyl]dioxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [5-[4-amino-5-[3-[(6-aminooxypyridine-3-carbonyl)amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [5-[4-amino-5-[3-[(6-aminooxynicotinoyl)amino]prop-1-ynyl]-2-keto-pyrimidin-1-yl]-4-hydroxy-tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C17H21N6O16P3 MolecularWeight: 658.300523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1OOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)C#CCNC(=O)C3=CN=C(C=C3)ON)O

Isomeric SMILES

C1C(C(OC1OOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)C#CCNC(=O)C3=CN=C(C=C3)ON)O

InChI

InChI=1S/C17H21N6O16P3/c18-14-10(2-1-5-20-15(25)9-3-4-12(35-19)21-7-9)8-23(17(26)22-14)16-11(24)6-13(34-16)36-37-41(30,31)39-42(32,33)38-40(27,28)29/h3-4,7-8,11,13,16,24H,5-6,19H2,(H,20,25)(H,30,31)(H,32,33)(H2,18,22,26)(H2,27,28,29)