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

Systemtic Name: 2-[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)SC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C14H14ClN3O2S/c1-8-10(15)4-3-5-11(8)17-13(20)9(2)21-14-16-7-6-12(19)18-14/h3-7,9H,1-2H3,(H,17,20)(H,16,18,19)/p-1/t9-/m0/s1