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

Systemtic Name: 7-methyl-4-oxidanylidene-1-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-2-olate Openeye Name: 3-benzyl-7-methyl-4-oxo-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate CAS Name: 7-methyl-4-oxo-1-phenyl-3-(phenylmethyl)-2-pyrimido[1,2-b]pyridazin-5-iumolate IUPAC Name: 3-benzyl-7-methyl-4-oxo-1-phenylpyrimido[1,2-b]pyridazin-5-ium-2-olate Traditional Name: 3-benzyl-4-keto-7-methyl-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=N[N+]2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2/c1-15-12-13-19-23(17-10-6-3-7-11-17)20(25)18(21(26)24(19)22-15)14-16-8-4-2-5-9-16/h2-13H,14H2,1H3