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

Systemtic Name: [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(oxolan-2-yloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-tetrahydrofuran-2-yloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-(2-oxolanyloxy)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(oxolan-2-yloxy)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-(tetrahydrofuryloxy)tetrahydrofuran-2-yl]methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)OC4CCCO4

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC4CCCO4

InChI

InChI=1S/C21H24N2O7/c1-13-11-23(21(26)22-19(13)24)17-10-15(30-18-8-5-9-27-18)16(29-17)12-28-20(25)14-6-3-2-4-7-14/h2-4,6-7,11,15-18H,5,8-10,12H2,1H3,(H,22,24,26)/t15-,16+,17+,18?/m0/s1