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

Systemtic Name: 9-(2-ethoxyphenyl)-2-(4-ethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(2-ethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2-ethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(2-ethoxyphenyl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-ethylphenyl)-8-keto-9-o-phenetyl-7H-purine-6-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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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=CC=C4OCC)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4OCC)C(=O)N

InChI

InChI=1S/C22H21N5O3/c1-3-13-9-11-14(12-10-13)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)15-7-5-6-8-16(15)30-4-2/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,25,29)