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

Systemtic Name: 1-(3-methylphenyl)-4-oxidanylidene-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 1-(m-tolyl)-4-oxo-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 1-(3-methylphenyl)-4-oxo-3,7-diphenyl-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 1-(3-methylphenyl)-4-oxo-3,7-diphenylpyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 4-keto-1-(m-tolyl)-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C26H19N3O2 MolecularWeight: 405.44796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2[O-])C4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2[O-])C4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O2/c1-18-9-8-14-21(17-18)28-23-16-15-22(19-10-4-2-5-11-19)27-29(23)26(31)24(25(28)30)20-12-6-3-7-13-20/h2-17H,1H3