2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-10(2)16-14(20)9-21-15-17-12(8-13(19)18-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,20)(H,17,18,19)/p-1