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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-])CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N7O4/c1-27-19-18(20(30)25-22(27)31)28(12-6-10-15-7-3-2-4-8-15)21(24-19)26-23-14-16-9-5-11-17(13-16)29(32)33/h2-5,7-9,11,13-14H,6,10,12H2,1H3,(H,24,26)(H,25,30,31)/b23-14+