[(1S)-1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[(6-oxo-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[(6-keto-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium Formula: C12H14N3OS+ MolecularWeight: 248.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1SC2=NC=CC(=O)N2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1SC2=NC=CC(=O)N2)[NH3+]

InChI

InChI=1S/C12H13N3OS/c1-8(13)9-4-2-3-5-10(9)17-12-14-7-6-11(16)15-12/h2-8H,13H2,1H3,(H,14,15,16)/p+1/t8-/m0/s1