2-[5-(2-acetamido-6-azanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl benzoate

Systemtic Name: 2-[5-(2-acetamido-6-azanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl benzoate Openeye Name: 2-[5-(2-acetamido-6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[5-(2-acetamido-6-amino-9-purinyl)-3,4-dihydroxy-2-oxolanyl]ethyl ester IUPAC Name: 2-[5-(2-acetamido-6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[5-(2-acetamido-6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl ester Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CCOC(=O)C4=CC=CC=C4)O)O

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CCOC(=O)C4=CC=CC=C4)O)O

InChI

InChI=1S/C20H22N6O6/c1-10(27)23-20-24-16(21)13-17(25-20)26(9-22-13)18-15(29)14(28)12(32-18)7-8-31-19(30)11-5-3-2-4-6-11/h2-6,9,12,14-15,18,28-29H,7-8H2,1H3,(H3,21,23,24,25,27)