[5-(2-acetamido-6-chloranyl-purin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-(2-acetamido-6-chloranyl-purin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(2-acetamido-6-chloro-purin-9-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(2-acetamido-6-chloro-9-purinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(2-acetamido-6-chloropurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(2-acetamido-6-chloro-purin-9-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C28H26ClN5O6 MolecularWeight: 563.98894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN5O6/c1-15-4-8-18(9-5-15)26(36)38-13-21-20(40-27(37)19-10-6-16(2)7-11-19)12-22(39-21)34-14-30-23-24(29)32-28(31-17(3)35)33-25(23)34/h4-11,14,20-22H,12-13H2,1-3H3,(H,31,32,33,35)