[(2R,3S,4R,5R)-5-[4-(aminocarbamoyl)pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3S,4R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[4-(aminocarbamoyl)pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3S,4R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate Openeye Name: [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [[(2R,3S,4R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[4-(hydrazinecarbonyl)-1-pyridin-1-iumyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [(2R,3S,4R,5R)-5-(4-carbazoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate Formula: C23H28N8O14P2 MolecularWeight: 702.461142

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)NN)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)NN)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H](C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O

InChI

InChI=1S/C23H28N8O14P2/c24-28-21(36)11-1-4-29(5-2-11)22-17(34)15(32)12(43-22)7-41-46(37,38)45-47(39,40)42-8-13-16(33)18(35)23(44-13)31-10-26-14-19-25-3-6-30(19)9-27-20(14)31/h1-6,9-10,12-13,15-18,22-24,32-35H,7-8H2,(H3,36,37,38,39,40)/t12-,13-,15-,16-,17-,18-,22-,23?/m1/s1