2-[(2S)-1-[(4-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(4-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-2-(4-aminoanilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(4-aminoanilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N)SC2=NC=CC(=N2)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N)SC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-8(20-13-15-7-6-11(18)17-13)12(19)16-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,16,19)(H,15,17,18)/p-1/t8-/m0/s1