[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxymethoxy]oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxymethoxy]oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethoxy]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxymethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethoxy]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,5R)-3-(dibutoxyphosphoryloxymethoxy)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethoxy]tetrahydrofuran-2-yl]methyl ester Formula: C43H54N5O15P MolecularWeight: 911.887121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)OCOC1CC(OC1COCOC2CC(OC2COC(=O)C3=CC=CC=C3)N4C=CC(=NC4=O)NC(=O)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)C

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCO[C@H]1C[C@@H](O[C@@H]1COCO[C@H]2C[C@@H](O[C@@H]2COC(=O)C3=CC=CC=C3)N4C=CC(=NC4=O)NC(=O)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)C

InChI

InChI=1S/C43H54N5O15P/c1-4-6-20-59-64(54,60-21-7-5-2)61-28-58-32-23-38(48-24-29(3)39(49)46-43(48)53)62-34(32)25-55-27-57-33-22-37(63-35(33)26-56-41(51)31-16-12-9-13-17-31)47-19-18-36(45-42(47)52)44-40(50)30-14-10-8-11-15-30/h8-19,24,32-35,37-38H,4-7,20-23,25-28H2,1-3H3,(H,46,49,53)(H,44,45,50,52)/t32-,33-,34+,35+,37+,38+/m0/s1