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

Systemtic Name: 2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(2-fluorophenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(2-fluorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: 2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(2-fluorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(2-fluorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-9-(2-fluorophenyl)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C18H11BrFN5O3 MolecularWeight: 444.214043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrFN5O3/c19-8-5-6-12(26)9(7-8)16-22-13(15(21)27)14-17(24-16)25(18(28)23-14)11-4-2-1-3-10(11)20/h1-7,22H,(H2,21,27)(H,23,28)