2-[4-[(1S)-1-azaniumylethyl]phenyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[4-[(1S)-1-azaniumylethyl]phenyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[4-[(1S)-1-azaniumylethyl]phenyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[4-[(1S)-1-ammonioethyl]phenyl]thio]-4-pyrimidinolate IUPAC Name: 2-[4-[(1S)-1-azaniumylethyl]phenyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[4-[(1S)-1-ammonioethyl]phenyl]thio]pyrimidin-4-olate Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC2=NC=CC(=N2)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC2=NC=CC(=N2)[O-])[NH3+]

InChI

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