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

Systemtic Name: [5-[4-azanyl-5-[3-[(4-methanoylphenyl)carbonylamino]prop-1-ynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]oxy [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-[4-amino-5-[3-[(4-formylbenzoyl)amino]prop-1-ynyl]-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [[5-[4-amino-5-[3-[[(4-formylphenyl)-oxomethyl]amino]prop-1-ynyl]-2-oxo-1-pyrimidinyl]-2-oxolanyl]dioxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [5-[4-amino-5-[3-[(4-formylbenzoyl)amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]oxolan-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [5-[4-amino-5-[3-[(4-formylbenzoyl)amino]prop-1-ynyl]-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]oxy [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C19H21N4O15P3 MolecularWeight: 638.309123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1N2C=C(C(=NC2=O)N)C#CCNC(=O)C3=CC=C(C=C3)C=O)OOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1CC(OC1N2C=C(C(=NC2=O)N)C#CCNC(=O)C3=CC=C(C=C3)C=O)OOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C19H21N4O15P3/c20-17-14(2-1-9-21-18(25)13-5-3-12(11-24)4-6-13)10-23(19(26)22-17)15-7-8-16(34-15)35-36-40(30,31)38-41(32,33)37-39(27,28)29/h3-6,10-11,15-16H,7-9H2,(H,21,25)(H,30,31)(H,32,33)(H2,20,22,26)(H2,27,28,29)