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

Systemtic Name: 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]-7-phenethyl-xanthine Formula: C22H21N7O4 MolecularWeight: 447.44664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=CC=C3)[N+](=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)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C22H21N7O4/c1-26-19-18(20(30)27(2)22(26)31)28(12-11-15-7-4-3-5-8-15)21(24-19)25-23-14-16-9-6-10-17(13-16)29(32)33/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b23-14+