[(2R,3R,4R,5R)-5-[2,6-bis(chloranyl)purin-9-yl]-4-(2-methoxyethoxy)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[2,6-bis(chloranyl)purin-9-yl]-4-(2-methoxyethoxy)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3R,4R,5R)-5-(2,6-dichloropurin-9-yl)-4-(2-methoxyethoxy)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-(2,6-dichloro-9-purinyl)-4-(2-methoxyethoxy)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(2,6-dichloropurin-9-yl)-4-(2-methoxyethoxy)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-(2,6-dichloropurin-9-yl)-4-(2-methoxyethoxy)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C29H28Cl2N4O7 MolecularWeight: 615.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OCCOC)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OCCOC)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H28Cl2N4O7/c1-16-4-8-18(9-5-16)27(36)40-14-20-22(42-28(37)19-10-6-17(2)7-11-19)23(39-13-12-38-3)26(41-20)35-15-32-21-24(30)33-29(31)34-25(21)35/h4-11,15,20,22-23,26H,12-14H2,1-3H3/t20-,22-,23-,26-/m1/s1