[(2R,3R,3aR,6S,7R,7aR)-2-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-methoxy-7-[2,2,2-tris(chloranyl)ethanoylcarbamoylamino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3R,3aR,6S,7R,7aR)-2-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-methoxy-7-[2,2,2-tris(chloranyl)ethanoylcarbamoylamino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2R,3R,3aR,6S,7R,7aR)-2-(5-iodo-2,4-dioxo-pyrimidin-1-yl)-6-methoxy-7-[(2,2,2-trichloroacetyl)carbamoylamino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R,3aR,6S,7R,7aR)-2-(5-iodo-2,4-dioxo-1-pyrimidinyl)-6-methoxy-7-[[oxo-[(2,2,2-trichloro-1-oxoethyl)amino]methyl]amino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] ester IUPAC Name: [(2R,3R,3aR,6S,7R,7aR)-2-(5-iodo-2,4-dioxopyrimidin-1-yl)-6-methoxy-7-[(2,2,2-trichloroacetyl)carbamoylamino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,3aR,6S,7R,7aR)-2-(5-iodo-2,4-diketo-pyrimidin-1-yl)-6-methoxy-7-[(2,2,2-trichloroacetyl)carbamoylamino]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3-yl] ester Formula: C20H24Cl3IN4O9 MolecularWeight: 697.68943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C2C(C(C(CO2)OC)NC(=O)NC(=O)C(Cl)(Cl)Cl)OC1N3C=C(C(=O)NC3=O)I

Isomeric SMILES

CC(C)(C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@@H]([C@@H](CO2)OC)NC(=O)NC(=O)C(Cl)(Cl)Cl)O[C@H]1N3C=C(C(=O)NC3=O)I

InChI

InChI=1S/C20H24Cl3IN4O9/c1-19(2,3)16(31)37-12-11-10(36-14(12)28-5-7(24)13(29)26-18(28)33)9(8(34-4)6-35-11)25-17(32)27-15(30)20(21,22)23/h5,8-12,14H,6H2,1-4H3,(H,26,29,33)(H2,25,27,30,32)/t8-,9-,10-,11-,12-,14-/m1/s1