(2E)-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]hydrazinylidene]-2-phenyl-ethanoate

Systemtic Name: (2E)-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]hydrazinylidene]-2-phenyl-ethanoate Openeye Name: (2E)-2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)hydrazono]-2-phenyl-acetate CAS Name: (2E)-2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)hydrazinylidene]-2-phenylacetate IUPAC Name: (2E)-2-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)hydrazinylidene]-2-phenylacetate Traditional Name: (2E)-2-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)hydrazono]-2-phenyl-acetate Formula: C23H21N6O4- MolecularWeight: 445.45064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C(C3=CC=CC=C3)C(=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C(\C3=CC=CC=C3)/C(=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N6O4/c1-27-19-18(20(30)28(2)23(27)33)29(14-13-15-9-5-3-6-10-15)22(24-19)26-25-17(21(31)32)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,24,26)(H,31,32)/p-1/b25-17+