8-[2-[4-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-[4-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-piperazinyl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-[4-(5-chloro-6-keto-1H-pyridazin-4-yl)piperazino]ethyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H21ClN8O3 MolecularWeight: 420.85344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN8O3/c1-23-14-13(16(28)24(2)17(23)29)20-11(21-14)3-4-25-5-7-26(8-6-25)10-9-19-22-15(27)12(10)18/h9H,3-8H2,1-2H3,(H,20,21)(H,22,27)