2-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O2S/c1-9(21-14-16-7-6-12(19)18-14)13(20)17-11-4-2-10(8-15)3-5-11/h2-7,9H,1H3,(H,17,20)(H,16,18,19)/p-1/t9-/m1/s1