3,7-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C14H13N7O4 MolecularWeight: 343.29752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C14H13N7O4/c1-19-10-11(20(2)14(23)17-12(10)22)16-13(19)18-15-7-8-3-5-9(6-4-8)21(24)25/h3-7H,1-2H3,(H,16,18)(H,17,22,23)/b15-7+