3-methyl-8-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-[1-(4-nitrophenyl)vinyl]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[1-(4-nitrophenyl)ethenylhydrazo]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[N'-[1-(4-nitrophenyl)vinyl]hydrazino]-7-phenethyl-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)NNC(=C)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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