2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-16(2,3)18-13(21)10-23-15-17-12(20)9-14(22)19(15)11-7-5-4-6-8-11/h4-9,22H,10H2,1-3H3,(H,18,21)/p-1