[(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C28H36N5O14P MolecularWeight: 697.584301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OC3CC(OC3COC(=O)CCC(=O)C)N4C=C(C(=O)NC4=O)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)O[C@H]3C[C@@H](O[C@@H]3COC(=O)CCC(=O)C)N4C=C(C(=O)NC4=O)C)O

InChI

InChI=1S/C28H36N5O14P/c1-15-11-32(27(39)30-25(15)37)22-9-18(35)20(45-22)14-44-48(41,43-8-4-7-29)47-19-10-23(33-12-16(2)26(38)31-28(33)40)46-21(19)13-42-24(36)6-5-17(3)34/h11-12,18-23,35H,4-6,8-10,13-14H2,1-3H3,(H,30,37,39)(H,31,38,40)/t18-,19-,20+,21+,22+,23+,48?/m0/s1