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

Systemtic Name: (2E)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(3-methylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(m-tolyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(3-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(3-methylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-9-(m-tolyl)-1,7-dihydropurine-6-carboxamide Formula: C19H14BrN5O3 MolecularWeight: 440.25016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN5O3/c1-9-3-2-4-11(7-9)25-18-15(23-19(25)28)14(16(21)27)22-17(24-18)12-8-10(20)5-6-13(12)26/h2-8,22H,1H3,(H2,21,27)(H,23,28)/b17-12+