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

Systemtic Name: 8-[4-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(3-chloro-6-oxo-pyridazin-1-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(3-chloro-6-oxo-1-pyridazinyl)butyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(3-chloro-6-oxopyridazin-1-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(3-chloro-6-keto-pyridazin-1-yl)butyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H17ClN6O3 MolecularWeight: 364.78688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCN3C(=O)C=CC(=N3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCN3C(=O)C=CC(=N3)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-20-13-12(14(24)21(2)15(20)25)17-10(18-13)5-3-4-8-22-11(23)7-6-9(16)19-22/h6-7H,3-5,8H2,1-2H3,(H,17,18)