5,7-dimethyl-8-(3-methylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide

Systemtic Name: 5,7-dimethyl-8-(3-methylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide Openeye Name: 5,7-dimethyl-8-(m-tolyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide CAS Name: 5,7-dimethyl-8-(3-methylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide IUPAC Name: 5,7-dimethyl-8-(3-methylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide Traditional Name: 5,7-dimethyl-8-(m-tolyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone iodide Formula: C16H16IN3O2 MolecularWeight: 409.22161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(C=C(C3=C2NC(=O)NC3=O)C)C.[I-]

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(C=C(C3=C2NC(=O)NC3=O)C)C.[I-]

InChI

InChI=1S/C16H15N3O2.HI/c1-9-5-4-6-12(7-9)19-11(3)8-10(2)13-14(19)17-16(21)18-15(13)20;/h4-8H,1-3H3,(H,18,20,21);1H