2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxo-6-purinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide Traditional Name: 8-keto-9-(3-methoxyphenyl)-7-methyl-2-p-phenetyl-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)N3C)C4=CC(=CC=C4)OC)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC(=CC=C4)OC)C(=O)N

InChI

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