9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)-7-ethyl-8-keto-purine-6-carboxamide Formula: C23H21N5O6 MolecularWeight: 463.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)OC)OC)C(=O)N

Isomeric SMILES

CCN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)OC)OC)C(=O)N

InChI

InChI=1S/C23H21N5O6/c1-4-27-19-18(20(24)29)25-21(14-10-13(31-2)6-8-15(14)32-3)26-22(19)28(23(27)30)12-5-7-16-17(9-12)34-11-33-16/h5-10H,4,11H2,1-3H3,(H2,24,29)