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

Systemtic Name: 7-[2-[4-(5-chloranyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(5-chloro-1-methyl-6-oxo-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(5-chloro-1-methyl-6-oxo-4-pyridazinyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(5-chloro-6-keto-1-methyl-pyridazin-4-yl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C18H23ClN8O3 MolecularWeight: 434.88002

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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(=O)N(N=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN8O3/c1-22-15-14(17(29)23(2)18(22)30)27(11-20-15)9-6-25-4-7-26(8-5-25)12-10-21-24(3)16(28)13(12)19/h10-11H,4-9H2,1-3H3