2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=C(C(=N2)[O-])CCO)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=C(C(=N2)[O-])CCO)C

InChI

InChI=1S/C18H23N3O3S/c1-4-21(14-7-5-6-12(2)10-14)16(23)11-25-18-19-13(3)15(8-9-22)17(24)20-18/h5-7,10,22H,4,8-9,11H2,1-3H3,(H,19,20,24)/p-1