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

Systemtic Name: 3-butyl-7-methyl-1-(4-methylphenyl)-4-oxidanylidene-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-butyl-7-methyl-4-oxo-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 3-butyl-7-methyl-1-(4-methylphenyl)-4-oxo-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-butyl-7-methyl-1-(4-methylphenyl)-4-oxopyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-butyl-4-keto-7-methyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C19H21N3O2/c1-4-5-6-16-18(23)21(15-10-7-13(2)8-11-15)17-12-9-14(3)20-22(17)19(16)24/h7-12H,4-6H2,1-3H3