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

Systemtic Name: [5-(6-chloranyl-2-iodanyl-purin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(6-chloro-2-iodo-purin-9-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(6-chloro-2-iodo-9-purinyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-chloro-2-iodopurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(6-chloro-2-iodo-purin-9-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H22ClIN4O5 MolecularWeight: 632.83415

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

InChI

InChI=1S/C26H22ClIN4O5/c1-14-3-7-16(8-4-14)24(33)35-12-19-18(37-25(34)17-9-5-15(2)6-10-17)11-20(36-19)32-13-29-21-22(27)30-26(28)31-23(21)32/h3-10,13,18-20H,11-12H2,1-2H3