[azanyl-[(3-chloranyl-4-fluoranyl-phenyl)amino]methylidene]-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)azanium

Systemtic Name: [azanyl-[(3-chloranyl-4-fluoranyl-phenyl)amino]methylidene]-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)azanium Openeye Name: [amino-(3-chloro-4-fluoro-anilino)methylene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)ammonium CAS Name: [amino-(3-chloro-4-fluoroanilino)methylidene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)ammonium IUPAC Name: [amino-(3-chloro-4-fluoroanilino)methylidene]-(4-oxo-6-propyl-1H-pyrimidin-2-yl)azanium Traditional Name: [amino-(3-chloro-4-fluoro-anilino)methylene]-(4-keto-6-propyl-1H-pyrimidin-2-yl)ammonium Formula: C14H16ClFN5O+ MolecularWeight: 324.761143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)[NH+]=C(N)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)[NH+]=C(N)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H15ClFN5O/c1-2-3-8-7-12(22)20-14(19-8)21-13(17)18-9-4-5-11(16)10(15)6-9/h4-7H,2-3H2,1H3,(H4,17,18,19,20,21,22)/p+1