2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-16(2,3)19-14(21)10-22-15-17-12(9-13(20)18-15)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,19,21)(H,17,18,20)/p-1