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

Systemtic Name: 1-(4-methylphenyl)-2-oxidanyl-7-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-2-hydroxy-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 2-hydroxy-1-(4-methylphenyl)-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-2-hydroxy-1-(4-methylphenyl)-7-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-2-hydroxy-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C27H22N3O2+ MolecularWeight: 420.48248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=[N+](C(=O)C(=C2O)CC4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=[N+](C(=O)C(=C2O)CC4=CC=CC=C4)N=C(C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2/c1-19-12-14-22(15-13-19)29-25-17-16-24(21-10-6-3-7-11-21)28-30(25)27(32)23(26(29)31)18-20-8-4-2-5-9-20/h2-17H,18H2,1H3/p+1