[2-[3-(2-oxidanylidenepyrimidin-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [2-[3-(2-oxidanylidenepyrimidin-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [2-[3-(2-oxopyrimidin-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [2-[[1-oxo-3-(2-oxo-1-pyrimidinyl)propyl]amino]phenyl]methylammonium IUPAC Name: [2-[3-(2-oxopyrimidin-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [2-[3-(2-ketopyrimidin-1-yl)propanoylamino]benzyl]ammonium Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C=CC=NC2=O

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCN2C=CC=NC2=O

InChI

InChI=1S/C14H16N4O2/c15-10-11-4-1-2-5-12(11)17-13(19)6-9-18-8-3-7-16-14(18)20/h1-5,7-8H,6,9-10,15H2,(H,17,19)/p+1