3-bromanyl-2-[[[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]hydrazinylidene]methyl]-6-oxidanyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[[[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]hydrazinylidene]methyl]-6-oxidanyl-benzoic acid Openeye Name: 3-bromo-2-[[(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)hydrazono]methyl]-6-hydroxy-benzoic acid CAS Name: 3-bromo-2-[[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)hydrazinylidene]methyl]-6-hydroxybenzoic acid IUPAC Name: 3-bromo-2-[[(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]-6-hydroxybenzoic acid Traditional Name: 3-bromo-2-[[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)hydrazono]methyl]-6-hydroxy-benzoic acid Formula: C16H15BrN6O5 MolecularWeight: 451.2315

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NN=CC3=C(C=CC(=C3C(=O)O)O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NN=CC3=C(C=CC(=C3C(=O)O)O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H15BrN6O5/c1-3-23-11-12(22(2)16(28)20-13(11)25)19-15(23)21-18-6-7-8(17)4-5-9(24)10(7)14(26)27/h4-6,24H,3H2,1-2H3,(H,19,21)(H,26,27)(H,20,25,28)