2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]pyrimidin-4-olate Formula: C14H14N3O2S- MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C14H15N3O2S/c1-10-2-4-11(5-3-10)8-16-13(19)9-20-14-15-7-6-12(18)17-14/h2-7H,8-9H2,1H3,(H,16,19)(H,15,17,18)/p-1