7-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C21H24ClN7O5 MolecularWeight: 489.91216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN7O5/c1-24-19-18(20(31)25(2)21(24)32)28(13-23-19)7-3-4-17(30)27-10-8-26(9-11-27)15-6-5-14(22)12-16(15)29(33)34/h5-6,12-13H,3-4,7-11H2,1-2H3