7-[3-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(6-chloropyridazin-3-yl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C18H23ClN8O2 MolecularWeight: 418.88062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C18H23ClN8O2/c1-23-16-15(17(28)24(2)18(23)29)27(12-20-16)7-3-6-25-8-10-26(11-9-25)14-5-4-13(19)21-22-14/h4-5,12H,3,6-11H2,1-2H3