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

Systemtic Name: 2-[2-[ethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(N-ethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-ethylanilino)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(N-ethylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(N-ethylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-3-25(18-12-8-5-9-13-18)20(26)15-28-22-23-16(2)19(21(27)24-22)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3,(H,23,24,27)/p-1