3-butyl-7-chloranyl-1-(2-methylpropyl)-4-oxidanylidene-pyrimido[1,2-b]pyridazin-5-ium-2-olate

Systemtic Name: 3-butyl-7-chloranyl-1-(2-methylpropyl)-4-oxidanylidene-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-butyl-7-chloro-1-isobutyl-4-oxo-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 3-butyl-7-chloro-1-(2-methylpropyl)-4-oxo-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-butyl-7-chloro-1-(2-methylpropyl)-4-oxopyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-butyl-7-chloro-1-isobutyl-4-keto-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C15H20ClN3O2 MolecularWeight: 309.7912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)Cl)CC(C)C)[O-]

InChI

InChI=1S/C15H20ClN3O2/c1-4-5-6-11-14(20)18(9-10(2)3)13-8-7-12(16)17-19(13)15(11)21/h7-8,10H,4-6,9H2,1-3H3