7-ethyl-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C16H17N7O4 MolecularWeight: 371.35068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17N7O4/c1-4-22-12-13(20(2)16(25)21(3)14(12)24)18-15(22)19-17-9-10-6-5-7-11(8-10)23(26)27/h5-9H,4H2,1-3H3,(H,18,19)/b17-9+