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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C22H21N5O4/c1-30-15-10-9-14(12-16(15)31-2)27-21-19(26-22(27)29)18(20(23)28)24-17(25-21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H2,23,28)(H,26,29)