[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3-isocyano-2-oxidanylidene-chromen-7-yl)oxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3-isocyano-2-oxidanylidene-chromen-7-yl)oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-(3-isocyano-2-oxo-chromen-7-yl)oxy-phosphoryl] hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy-[(3-isocyano-2-oxo-1-benzopyran-7-yl)oxy]phosphoryl] hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-(3-isocyano-2-oxochromen-7-yl)oxyphosphoryl] hydrogen phosphate Traditional Name: [(5-adenin-9-yltetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [hydroxy-(3-isocyano-2-keto-chromen-7-yl)oxy-phosphoryl] hydrogen phosphate Formula: C20H19N6O13P3 MolecularWeight: 644.318543

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C(C=C2)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3CCC(O3)N4C=NC5=C4N=CN=C5N)OC1=O

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C(C=C2)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3CCC(O3)N4C=NC5=C4N=CN=C5N)OC1=O

InChI

InChI=1S/C20H19N6O13P3/c1-22-14-6-11-2-3-12(7-15(11)36-20(14)27)37-41(30,31)39-42(32,33)38-40(28,29)34-8-13-4-5-16(35-13)26-10-25-17-18(21)23-9-24-19(17)26/h2-3,6-7,9-10,13,16H,4-5,8H2,(H,28,29)(H,30,31)(H,32,33)(H2,21,23,24)