5-[6-[(5-methoxy-2-oxidanyl-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-[6-[(5-methoxy-2-oxidanyl-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 4-hydroxy-5-[6-[(2-hydroxy-5-methoxy-phenyl)methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-5-[6-[(2-hydroxy-5-methoxyphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-5-[6-[(2-hydroxy-5-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 4-hydroxy-5-[6-[(2-hydroxy-5-methoxy-benzyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C18H19N5O6 MolecularWeight: 401.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CNC2=NC=NC3=C2N=CN3C4C(CC(O4)C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)O)CNC2=NC=NC3=C2N=CN3C4C(CC(O4)C(=O)O)O

InChI

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