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

Systemtic Name: 6-ethyl-2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-5-methyl-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-5-methylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC)C

InChI

InChI=1S/C18H23N3O2S/c1-5-13-9-7-8-11(3)16(13)20-15(22)10-24-18-19-14(6-2)12(4)17(23)21-18/h7-9H,5-6,10H2,1-4H3,(H,20,22)(H,19,21,23)/p-1