[(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-butanoyloxy-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolan-3-yl] butanoate

Systemtic Name: [(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-butanoyloxy-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolan-3-yl] butanoate Openeye Name: [(2R,3R,4S,5R)-5-azido-4-butanoyloxy-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-3-yl] butanoate CAS Name: butanoic acid [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-dioxo-1-pyrimidinyl)-4-(1-oxobutoxy)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-5-azido-4-butanoyloxy-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate Traditional Name: butyric acid [(2R,3R,4S,5R)-5-azido-4-butyryloxy-5-[[(4S)-4-(3-chlorophenyl)-2-keto-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C26H31ClN5O11P MolecularWeight: 655.978001

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(OC1N2C=CC(=O)NC2=O)(COP3(=O)OCCC(O3)C4=CC(=CC=C4)Cl)N=[N+]=[N-])OC(=O)CCC

Isomeric SMILES

CCCC(=O)O[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl)N=[N+]=[N-])OC(=O)CCC

InChI

InChI=1S/C26H31ClN5O11P/c1-3-6-20(34)40-22-23(41-21(35)7-4-2)26(30-31-28,42-24(22)32-12-10-19(33)29-25(32)36)15-39-44(37)38-13-11-18(43-44)16-8-5-9-17(27)14-16/h5,8-10,12,14,18,22-24H,3-4,6-7,11,13,15H2,1-2H3,(H,29,33,36)/t18-,22+,23-,24+,26+,44?/m0/s1