2,9-bis(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2,9-bis(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2,9-bis(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2,9-bis(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2,9-bis(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 8-keto-2,9-bis(p-phenetyl)-7H-purine-6-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)OCC)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)OCC)C(=O)N

InChI

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