[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 6,7-dimethanoylnaphthalene-2-carboxylate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 6,7-dimethanoylnaphthalene-2-carboxylate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 6,7-diformylnaphthalene-2-carboxylate CAS Name: 6,7-diformyl-2-naphthalenecarboxylic 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 6,7-diformylnaphthalene-2-carboxylate Traditional Name: 6,7-diformylnaphthalene-2-carboxylic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C23H19N5O7 MolecularWeight: 477.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)C=O)C=O)C(=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)C=O)C=O)C(=O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C23H19N5O7/c24-20-17-21(26-9-25-20)28(10-27-17)22-19(32)18(31)16(35-22)8-34-23(33)12-2-1-11-3-14(6-29)15(7-30)5-13(11)4-12/h1-7,9-10,16,18-19,22,31-32H,8H2,(H2,24,25,26)