9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-2-(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)C)C)C(=O)N)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC(=C(C=C4)C)C)C(=O)N)C=CC1=O

InChI

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