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

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC(C)(C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC(C)(C)C)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-11-5-7-12(8-6-11)20-15(23)9-13(21)18-16(20)24-10-14(22)19-17(2,3)4/h5-9,23H,10H2,1-4H3,(H,19,22)/p-1