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

Systemtic Name: 3-azanyl-5-[6-[(5-methoxy-2-oxidanyl-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-[(2-hydroxy-5-methoxy-phenyl)methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[(2-hydroxy-5-methoxyphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-[(2-hydroxy-5-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-[(2-hydroxy-5-methoxy-benzyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C18H20N6O6 MolecularWeight: 416.388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O6/c1-29-9-2-3-10(25)8(4-9)5-20-15-12-16(22-6-21-15)24(7-23-12)17-13(26)11(19)14(30-17)18(27)28/h2-4,6-7,11,13-14,17,25-26H,5,19H2,1H3,(H,27,28)(H,20,21,22)