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

Systemtic Name: 7-[3-[4-(3-chloranyl-4H-pyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(3-chloro-4H-pyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(3-chloro-4H-pyridazin-3-yl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(3-chloro-4H-pyridazin-3-yl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(3-chloro-4H-pyridazin-3-yl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C18H25ClN8O2 MolecularWeight: 420.8965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4(CC=CN=N4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4(CC=CN=N4)Cl

InChI

InChI=1S/C18H25ClN8O2/c1-23-15-14(16(28)24(2)17(23)29)26(13-20-15)8-4-7-25-9-11-27(12-10-25)18(19)5-3-6-21-22-18/h3,6,13H,4-5,7-12H2,1-2H3