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

Systemtic Name: 2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-9-phenyl-1,7-dihydropurine-6-carboxamide Openeye Name: 2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-9-phenyl-1,7-dihydropurine-6-carboxamide CAS Name: 2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-9-phenyl-1,7-dihydropurine-6-carboxamide IUPAC Name: 2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-9-phenyl-1,7-dihydropurine-6-carboxamide Traditional Name: 2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-9-phenyl-1,7-dihydropurine-6-carboxamide Formula: C18H12BrN5O3 MolecularWeight: 426.22358

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN5O3/c19-9-6-7-12(25)11(8-9)16-21-13(15(20)26)14-17(23-16)24(18(27)22-14)10-4-2-1-3-5-10/h1-8,21H,(H2,20,26)(H,22,27)