5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione; ethanoic acid; perchlorate

Systemtic Name: 5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione; ethanoic acid; perchlorate Openeye Name: acetic acid; 5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione; perchlorate CAS Name: acetic acid; 5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione; perchlorate IUPAC Name: acetic acid; 5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione; perchlorate Traditional Name: acetic acid; 5,7-dimethyl-8-phenyl-1H-pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone; perchlorate Formula: C17H18ClN3O8 MolecularWeight: 427.79312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2.C2H4O2.ClHO4/c1-9-8-10(2)18(11-6-4-3-5-7-11)13-12(9)14(19)17-15(20)16-13;1-2(3)4;2-1(3,4)5/h3-8H,1-2H3,(H,17,19,20);1H3,(H,3,4);(H,2,3,4,5)