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

Systemtic Name: 1-(3-methylphenyl)-2-oxidanyl-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 2-hydroxy-1-(m-tolyl)-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 2-hydroxy-1-(3-methylphenyl)-3,7-diphenyl-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 2-hydroxy-1-(3-methylphenyl)-3,7-diphenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 2-hydroxy-1-(m-tolyl)-3,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C26H20N3O2+ MolecularWeight: 406.4559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2O)C4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=[N+](C(=O)C(=C2O)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/p+1