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

Systemtic Name: 3-butyl-1-(4-methylphenyl)-4-oxidanylidene-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-butyl-4-oxo-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 3-butyl-1-(4-methylphenyl)-4-oxo-7-phenyl-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-butyl-1-(4-methylphenyl)-4-oxo-7-phenylpyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-butyl-4-keto-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C24H23N3O2/c1-3-4-10-20-23(28)26(19-13-11-17(2)12-14-19)22-16-15-21(25-27(22)24(20)29)18-8-6-5-7-9-18/h5-9,11-16H,3-4,10H2,1-2H3