9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)OC)OC)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)OC)OC)C(=O)N

InChI

InChI=1S/C22H21N5O4/c1-4-12-5-7-13(8-6-12)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)14-9-10-15(30-2)16(11-14)31-3/h5-11H,4H2,1-3H3,(H2,23,28)(H,25,29)