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

Systemtic Name: [2-[4-(2-oxidanylidenepyrimidin-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [2-[4-(2-oxopyrimidin-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [2-[[1-oxo-4-(2-oxo-1-pyrimidinyl)butyl]amino]phenyl]methylammonium IUPAC Name: [2-[4-(2-oxopyrimidin-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [2-[4-(2-ketopyrimidin-1-yl)butanoylamino]benzyl]ammonium Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCCN2C=CC=NC2=O

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])NC(=O)CCCN2C=CC=NC2=O

InChI

InChI=1S/C15H18N4O2/c16-11-12-5-1-2-6-13(12)18-14(20)7-3-9-19-10-4-8-17-15(19)21/h1-2,4-6,8,10H,3,7,9,11,16H2,(H,18,20)/p+1