[5-[4-azanyl-5-[3-(5-azanyloxypentanoylamino)prop-1-ynyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [5-[4-azanyl-5-[3-(5-azanyloxypentanoylamino)prop-1-ynyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-[4-amino-5-[3-(5-aminooxypentanoylamino)prop-1-ynyl]-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [[5-[4-amino-5-[3-[(5-aminooxy-1-oxopentyl)amino]prop-1-ynyl]-2-oxo-1-pyrimidinyl]-3,4-dihydroxy-2-oxolanyl]dioxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [5-[4-amino-5-[3-(5-aminooxypentanoylamino)prop-1-ynyl]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [5-[4-amino-5-[3-(5-aminooxypentanoylamino)prop-1-ynyl]-2-keto-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C16H26N5O17P3 MolecularWeight: 653.322223

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(C(O2)OOP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C#CCNC(=O)CCCCON

Isomeric SMILES

C1=C(C(=NC(=O)N1C2C(C(C(O2)OOP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C#CCNC(=O)CCCCON

InChI

InChI=1S/C16H26N5O17P3/c17-13-9(4-3-6-19-10(22)5-1-2-7-33-18)8-21(16(25)20-13)14-11(23)12(24)15(34-14)35-36-40(29,30)38-41(31,32)37-39(26,27)28/h8,11-12,14-15,23-24H,1-2,5-7,18H2,(H,19,22)(H,29,30)(H,31,32)(H2,17,20,25)(H2,26,27,28)