2-(2-azanylpropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-bis(oxidanylidene)pyrimidin-1-ium-4-carboxamide

Systemtic Name: 2-(2-azanylpropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-bis(oxidanylidene)pyrimidin-1-ium-4-carboxamide Openeye Name: 2-(1-amino-1-methyl-ethyl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-pyrimidin-1-ium-4-carboxamide CAS Name: 2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-4-pyrimidin-1-iumcarboxamide IUPAC Name: 2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxopyrimidin-1-ium-4-carboxamide Traditional Name: 2-(1-amino-1-methyl-ethyl)-N-(4-fluorobenzyl)-5,6-diketo-1-methyl-pyrimidin-1-ium-4-carboxamide Formula: C16H18FN4O3+ MolecularWeight: 333.337523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=[N+](C(=O)C(=O)C(=N1)C(=O)NCC2=CC=C(C=C2)F)C)N

Isomeric SMILES

CC(C)(C1=[N+](C(=O)C(=O)C(=N1)C(=O)NCC2=CC=C(C=C2)F)C)N

InChI

InChI=1S/C16H17FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7H,8,18H2,1-3H3/p+1