[(1S)-1-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium Formula: C13H16N3OS+ MolecularWeight: 262.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC=CC=C2C(C)[NH3+]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC=CC=C2[C@H](C)[NH3+]

InChI

InChI=1S/C13H15N3OS/c1-8-7-12(17)16-13(15-8)18-11-6-4-3-5-10(11)9(2)14/h3-7,9H,14H2,1-2H3,(H,15,16,17)/p+1/t9-/m0/s1