2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9-(4-methylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9-(4-methylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 2-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-8-oxo-9-(p-tolyl)-1,7-dihydropurine-6-carboxamide CAS Name: 2-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-9-(4-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9-(4-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 2-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-8-keto-9-(p-tolyl)-1,7-dihydropurine-6-carboxamide Formula: C20H16BrN5O4 MolecularWeight: 470.27614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=C4C=C(C(=O)C(=C4)Br)OC)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=C4C=C(C(=O)C(=C4)Br)OC)NC(=C3NC2=O)C(=O)N

InChI

InChI=1S/C20H16BrN5O4/c1-9-3-5-11(6-4-9)26-19-15(24-20(26)29)14(17(22)28)23-18(25-19)10-7-12(21)16(27)13(8-10)30-2/h3-8,23H,1-2H3,(H2,22,28)(H,24,29)