[[(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)-4-oxidanyl-oxolan-2-yl]-isocyanatooxy-methyl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)-4-oxidanyl-oxolan-2-yl]-isocyanatooxy-methyl] phosphono hydrogen phosphate Openeye Name: [[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)tetrahydrofuran-2-yl]-isocyanatooxy-methyl] phosphono hydrogen phosphate CAS Name: [[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolyl)-2-oxolanyl]-isocyanatooxymethyl] phosphono hydrogen phosphate IUPAC Name: [[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)oxolan-2-yl]-isocyanatooxymethyl] phosphono hydrogen phosphate Traditional Name: [[(2S,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolin-3-yl)tetrahydrofuran-2-yl]-isocyanatooxy-methyl] phosphono hydrogen phosphate Formula: C19H26N7O13P2 MolecularWeight: 622.396362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1[O])(C)C)C2C(C(OC2C(ON=C=O)OP(=O)(O)OP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)O)C

Isomeric SMILES

CC1(C=C(C(N1[O])(C)C)[C@H]2[C@H]([C@@H](O[C@@H]2C(ON=C=O)OP(=O)(O)OP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)O)C

InChI

InChI=1S/C19H26N7O13P2/c1-18(2)5-8(19(3,4)26(18)30)9-11(28)15(25-6-21-10-13(25)23-17(20)24-14(10)29)36-12(9)16(37-22-7-27)38-41(34,35)39-40(31,32)33/h5-6,9,11-12,15-16,28H,1-4H3,(H,34,35)(H2,31,32,33)(H3,20,23,24,29)/t9-,11+,12-,15+,16?/m0/s1