8-oxidanylidene-9-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 8-oxidanylidene-9-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 8-oxo-9-(tetrahydrofuran-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 8-oxo-9-(2-oxolanylmethyl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 8-oxo-9-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(tetrahydrofurfuryl)-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C20H23N5O6 MolecularWeight: 429.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

InChI

InChI=1S/C20H23N5O6/c1-28-12-7-10(8-13(29-2)16(12)30-3)18-22-14(17(21)26)15-19(24-18)25(20(27)23-15)9-11-5-4-6-31-11/h7-8,11H,4-6,9H2,1-3H3,(H2,21,26)(H,23,27)