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

Systemtic Name: 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C23H24N3O2S- MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O2S/c1-4-26(19-12-8-9-16(2)13-19)21(27)15-29-23-24-17(3)20(22(28)25-23)14-18-10-6-5-7-11-18/h5-13H,4,14-15H2,1-3H3,(H,24,25,28)/p-1