2-[2-[[3,5-bis(fluoranyl)phenyl]methyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethylazanium

Systemtic Name: 2-[2-[[3,5-bis(fluoranyl)phenyl]methyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethylazanium Openeye Name: 2-[2-[(3,5-difluorophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylammonium CAS Name: 2-[2-[(3,5-difluorophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylammonium IUPAC Name: 2-[2-[(3,5-difluorophenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylazanium Traditional Name: 2-[2-(3,5-difluorobenzyl)-4-keto-1H-pyrimidin-6-yl]ethylammonium Formula: C13H14F2N3O+ MolecularWeight: 266.266566

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)CC2=NC(=O)C=C(N2)CC[NH3+]

Isomeric SMILES

C1=C(C=C(C=C1F)F)CC2=NC(=O)C=C(N2)CC[NH3+]

InChI

InChI=1S/C13H13F2N3O/c14-9-3-8(4-10(15)6-9)5-12-17-11(1-2-16)7-13(19)18-12/h3-4,6-7H,1-2,5,16H2,(H,17,18,19)/p+1