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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H19N5O6/c1-27-10-4-2-9(3-5-10)18(26)28-6-11-13(24)14(25)17(29-11)23-8-22-12-15(19)20-7-21-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H2,19,20,21)