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

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-3-(2-methoxyphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-keto-3-(2-methoxyphenyl)pyrimidin-4-olate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2OC)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2OC)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)19-14(22)10-25-16-18-13(21)9-15(23)20(16)11-7-5-6-8-12(11)24-4/h5-9,23H,10H2,1-4H3,(H,19,22)/p-1