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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3,4-dimethanoylbenzoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 3,4-diformylbenzoate CAS Name: 3,4-diformylbenzoic 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 3,4-diformylbenzoate Traditional Name: 3,4-diformylbenzoic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C19H17N5O7 MolecularWeight: 427.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C=O)C=O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C=O)C=O

InChI

InChI=1S/C19H17N5O7/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(28)14(27)12(31-18)6-30-19(29)9-1-2-10(4-25)11(3-9)5-26/h1-5,7-8,12,14-15,18,27-28H,6H2,(H2,20,21,22)