[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl adamantane-1-carboxylate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl adamantane-1-carboxylate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl adamantane-1-carboxylate CAS Name: 1-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-1-carboxylate Traditional Name: adamantane-1-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)(C3)C(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

InChI

InChI=1S/C21H27N5O5/c22-17-14-18(24-8-23-17)26(9-25-14)19-16(28)15(27)13(31-19)7-30-20(29)21-4-10-1-11(5-21)3-12(2-10)6-21/h8-13,15-16,19,27-28H,1-7H2,(H2,22,23,24)