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

Systemtic Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]-7-phenethyl-xanthine Formula: C21H19N7O4 MolecularWeight: 433.42006

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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-])CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C21H19N7O4/c1-26-18-17(19(29)24-21(26)30)27(11-10-14-6-3-2-4-7-14)20(23-18)25-22-13-15-8-5-9-16(12-15)28(31)32/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,29,30)/b22-13+