[(2R,3S,5R)-5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H24N2O7 MolecularWeight: 488.48866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C#C)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C#C)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24N2O7/c1-4-18-14-29(27(33)28-24(18)30)23-13-21(36-26(32)20-11-7-17(3)8-12-20)22(35-23)15-34-25(31)19-9-5-16(2)6-10-19/h1,5-12,14,21-23H,13,15H2,2-3H3,(H,28,30,33)/t21-,22+,23+/m0/s1