1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-phenacyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)-1-piperazinyl]-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-phenacylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazino]-7-phenacyl-xanthine Formula: C25H25N7O5 MolecularWeight: 503.5099

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N7O5/c1-27-22-21(23(34)28(2)25(27)35)31(16-20(33)17-6-4-3-5-7-17)24(26-22)30-14-12-29(13-15-30)18-8-10-19(11-9-18)32(36)37/h3-11H,12-16H2,1-2H3