2-[(E)-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]hydrazono]methyl]benzoic acid Formula: C17H16N6O5 MolecularWeight: 384.34614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N/N=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H16N6O5/c1-21-14-13(15(25)22(2)17(21)28)23(9-18-14)8-12(24)20-19-7-10-5-3-4-6-11(10)16(26)27/h3-7,9H,8H2,1-2H3,(H,20,24)(H,26,27)/b19-7+