7-[2-[4-(4-chloranyl-6-oxidanylidene-1H-pyridazin-5-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(4-chloranyl-6-oxidanylidene-1H-pyridazin-5-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-chloro-6-oxo-1H-pyridazin-5-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(4-chloro-6-oxo-1H-pyridazin-5-yl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-chloro-6-oxo-1H-pyridazin-5-yl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(4-chloro-6-keto-1H-pyridazin-5-yl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C17H21ClN8O3 MolecularWeight: 420.85344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=C(C=NNC4=O)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=C(C=NNC4=O)Cl

InChI

InChI=1S/C17H21ClN8O3/c1-22-14-13(16(28)23(2)17(22)29)26(10-19-14)8-5-24-3-6-25(7-4-24)12-11(18)9-20-21-15(12)27/h9-10H,3-8H2,1-2H3,(H,21,27)