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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C18H23ClN8O2/c1-23-12-20-16-15(23)17(28)27(18(29)24(16)2)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