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

Systemtic Name: [(2R,3S,5S)-5-[3-methyl-2,4-bis(oxidanylidene)-1-propan-2-yl-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5S)-5-(1-isopropyl-3-methyl-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-(3-methyl-2,4-dioxo-1-propan-2-yl-7-pyrrolo[2,3-d]pyrimidinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-3-(4-methylbenzoyl)oxy-5-(3-methyl-2,4-dioxo-1-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5S)-5-(1-isopropyl-2,4-diketo-3-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H33N3O7 MolecularWeight: 559.60962

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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(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(C)C)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H33N3O7/c1-18(2)34-27-23(28(35)32(5)31(34)38)14-15-33(27)26-16-24(41-30(37)22-12-8-20(4)9-13-22)25(40-26)17-39-29(36)21-10-6-19(3)7-11-21/h6-15,18,24-26H,16-17H2,1-5H3/t24-,25+,26-/m0/s1