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

Systemtic Name: [5-(6-aminopurin-9-yl)-2,3-dimethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-2,3-diformyl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-2,3-diformyl-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-2,3-diformyl-3,4-dihydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid (5-adenin-9-yl-2,3-diformyl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C19H17N5O7 MolecularWeight: 427.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)(C=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)(C=O)O)C=O

InChI

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