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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N/N=C(\C)/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17N7O4/c1-4-22-12-13(21(3)16(25)18-14(12)24)17-15(22)20-19-9(2)10-6-5-7-11(8-10)23(26)27/h5-8H,4H2,1-3H3,(H,17,20)(H,18,24,25)/b19-9+