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

Systemtic Name: 7-[2-[4-(5-chloranyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(5-chloro-2-methyl-3-oxo-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(5-chloro-2-methyl-3-oxo-4-pyridazinyl)-1-piperazinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(5-chloro-2-methyl-3-oxopyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(5-chloro-3-keto-2-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=NN(C4=O)C)Cl

Isomeric SMILES

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

InChI

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