[(2S)-1-oxidanylidene-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-(2-pyrimidinylamino)propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(2-pyrimidylamino)ethyl]ammonium Formula: C13H15N4O+ MolecularWeight: 243.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=NC=CC=N2)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=NC=CC=N2)[NH3+]

InChI

InChI=1S/C13H14N4O/c14-11(9-10-5-2-1-3-6-10)12(18)17-13-15-7-4-8-16-13/h1-8,11H,9,14H2,(H,15,16,17,18)/p+1/t11-/m0/s1