6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C15H17ClFN4O2+ MolecularWeight: 339.772483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C[NH+](CN2)CC3=C(C=CC=C3Cl)F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C[NH+](CN2)CC3=C(C=CC=C3Cl)F)C(=O)N(C1=O)C

InChI

InChI=1S/C15H16ClFN4O2/c1-19-13-10(14(22)20(2)15(19)23)7-21(8-18-13)6-9-11(16)4-3-5-12(9)17/h3-5,18H,6-8H2,1-2H3/p+1