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

Systemtic Name: (2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(2-ethoxyphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(2-ethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(2-ethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(2-ethoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-9-o-phenetyl-1,7-dihydropurine-6-carboxamide Formula: C20H16BrN5O4 MolecularWeight: 470.27614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NC(=C4C=C(C=CC4=O)Br)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=N/C(=C\4/C=C(C=CC4=O)Br)/NC(=C3NC2=O)C(=O)N

InChI

InChI=1S/C20H16BrN5O4/c1-2-30-14-6-4-3-5-12(14)26-19-16(24-20(26)29)15(17(22)28)23-18(25-19)11-9-10(21)7-8-13(11)27/h3-9,23H,2H2,1H3,(H2,22,28)(H,24,29)/b18-11-