[(2R,3S,5S)-5-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5S)-5-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5S)-5-(1,3-dimethyl-2,4-dioxo-pyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5S)-5-(1,3-dimethyl-2,4-dioxo-7-pyrrolo[2,3-d]pyrimidinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-5-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5S)-5-(2,4-diketo-1,3-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C29H29N3O7 MolecularWeight: 531.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=CC4=C3N(C(=O)N(C4=O)C)C)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)N3C=CC4=C3N(C(=O)N(C4=O)C)C)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H29N3O7/c1-17-5-9-19(10-6-17)27(34)37-16-23-22(39-28(35)20-11-7-18(2)8-12-20)15-24(38-23)32-14-13-21-25(32)30(3)29(36)31(4)26(21)33/h5-14,22-24H,15-16H2,1-4H3/t22-,23+,24-/m0/s1