[4-[3-(2-oxidanylidenepyrimidin-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(2-oxidanylidenepyrimidin-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(2-oxopyrimidin-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[1-oxo-3-(2-oxo-1-pyrimidinyl)propyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(2-oxopyrimidin-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(2-ketopyrimidin-1-yl)propanoylamino]benzyl]ammonium Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1=CN(C(=O)N=C1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

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