2-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(o-phenetidino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2OCC)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2OCC)C

InChI

InChI=1S/C17H21N3O3S/c1-4-12-11(3)18-17(20-16(12)22)24-10-15(21)19-13-8-6-7-9-14(13)23-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,21)(H,18,20,22)/p-1