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

Systemtic Name: 7-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C20H22ClN7O5 MolecularWeight: 475.88558

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22ClN7O5/c1-23-18-17(19(30)24(2)20(23)31)27(12-22-18)6-5-16(29)26-9-7-25(8-10-26)14-4-3-13(21)11-15(14)28(32)33/h3-4,11-12H,5-10H2,1-2H3