[5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[5-(6-azanyl-2-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate

Systemtic Name: [5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[5-(6-azanyl-2-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate Openeye Name: [[5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [[5-(6-amino-2-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [[5-(6-amino-2-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [[5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C21H26N10O14P2 MolecularWeight: 704.437262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(N=C5N)N=[N+]=[N-])O)O)O)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(N=C5N)N=[N+]=[N-])O)O)O)O)C(=O)N

InChI

InChI=1S/C21H26N10O14P2/c22-16-11-18(27-21(26-16)28-29-24)31(7-25-11)20-15(35)13(33)10(44-20)6-42-47(39,40)45-46(37,38)41-5-9-12(32)14(34)19(43-9)30-3-1-2-8(4-30)17(23)36/h1-4,7,9-10,12-15,19-20,32-35H,5-6H2,(H5-,22,23,26,27,36,37,38,39,40)