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

Systemtic Name: (2E)-2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-9-(4-chlorophenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2E)-2-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9-(4-chlorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2E)-2-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-9-(4-chlorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2E)-2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9-(4-chlorophenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2E)-2-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-9-(4-chlorophenyl)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C19H13BrClN5O4 MolecularWeight: 490.69462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N)C=C(C1=O)Br

Isomeric SMILES

COC1=C/C(=C\2/NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N)/C=C(C1=O)Br

InChI

InChI=1S/C19H13BrClN5O4/c1-30-12-7-8(6-11(20)15(12)27)17-23-13(16(22)28)14-18(25-17)26(19(29)24-14)10-4-2-9(21)3-5-10/h2-7,23H,1H3,(H2,22,28)(H,24,29)/b17-8-