6-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(3,5-dimethylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(3,5-dimethylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(3,5-dimethylanilino)-2-keto-ethyl]pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C21H21N3O2S/c1-14-8-15(2)10-17(9-14)22-19(25)11-18-12-20(26)24-21(23-18)27-13-16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,22,25)(H,23,24,26)/p-1