1-(4-methoxyphenyl)-4-oxidanyl-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-dione

Systemtic Name: 1-(4-methoxyphenyl)-4-oxidanyl-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-dione Openeye Name: 3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-dione CAS Name: 4-hydroxy-1-(4-methoxyphenyl)-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-dione IUPAC Name: 3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-dione Traditional Name: 3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,6-diium-2,8-quinone Formula: C27H23N3O4+2 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH+]2C3=CC(=O)C(=[NH+]N3C(=C(C2=O)CC4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[NH+]2C3=CC(=O)C(=[NH+]N3C(=C(C2=O)CC4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4/c1-34-21-14-12-20(13-15-21)29-24-17-23(31)25(19-10-6-3-7-11-19)28-30(24)27(33)22(26(29)32)16-18-8-4-2-5-9-18/h2-15,17,33H,16H2,1H3/p+2