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

Systemtic Name: 5,7-dimethyl-8-(4-propan-2-ylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide Openeye Name: 8-(4-isopropylphenyl)-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide CAS Name: 5,7-dimethyl-8-(4-propan-2-ylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide IUPAC Name: 5,7-dimethyl-8-(4-propan-2-ylphenyl)-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione iodide Traditional Name: 5,7-dimethyl-8-p-cumenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone iodide Formula: C18H20IN3O2 MolecularWeight: 437.27477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C2=C1C(=O)NC(=O)N2)C3=CC=C(C=C3)C(C)C)C.[I-]

Isomeric SMILES

CC1=CC(=[N+](C2=C1C(=O)NC(=O)N2)C3=CC=C(C=C3)C(C)C)C.[I-]

InChI

InChI=1S/C18H19N3O2.HI/c1-10(2)13-5-7-14(8-6-13)21-12(4)9-11(3)15-16(21)19-18(23)20-17(15)22;/h5-10H,1-4H3,(H,20,22,23);1H