2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxy-4-methoxy-phenyl)-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxy-4-methoxyphenyl)-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxy-4-methoxy-phenyl)-8-keto-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)N)O

InChI

InChI=1S/C22H21N5O7/c1-31-13-6-5-10(7-12(13)28)20-24-16(19(23)29)17-21(26-20)27(22(30)25-17)11-8-14(32-2)18(34-4)15(9-11)33-3/h5-9,28H,1-4H3,(H2,23,29)(H,25,30)