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

Systemtic Name: (2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(3,4-dimethylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-9-(3,4-dimethylphenyl)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C20H16BrN5O3 MolecularWeight: 454.27674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=C4C=C(C=CC4=O)Br)NC(=C3NC2=O)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=N/C(=C\4/C=C(C=CC4=O)Br)/NC(=C3NC2=O)C(=O)N)C

InChI

InChI=1S/C20H16BrN5O3/c1-9-3-5-12(7-10(9)2)26-19-16(24-20(26)29)15(17(22)28)23-18(25-19)13-8-11(21)4-6-14(13)27/h3-8,23H,1-2H3,(H2,22,28)(H,24,29)/b18-13-