2-[(2S)-1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(3-azanyl-4-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-2-(3-amino-4-chloro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(3-amino-4-chloroanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(3-amino-4-chloro-anilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C13H12ClN4O2S- MolecularWeight: 323.77798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O2S/c1-7(21-13-16-5-4-11(19)18-13)12(20)17-8-2-3-9(14)10(15)6-8/h2-7H,15H2,1H3,(H,17,20)(H,16,18,19)/p-1/t7-/m0/s1