[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl adamantane-2-carboxylate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl adamantane-2-carboxylate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

InChI

InChI=1S/C21H27N5O5/c22-18-15-19(24-7-23-18)26(8-25-15)20-17(28)16(27)13(31-20)6-30-21(29)14-11-2-9-1-10(4-11)5-12(14)3-9/h7-14,16-17,20,27-28H,1-6H2,(H2,22,23,24)