6-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-isopropylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-(2-cumidino-2-keto-ethyl)pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-15(2)17-8-10-18(11-9-17)23-20(26)12-19-13-21(27)25-22(24-19)28-14-16-6-4-3-5-7-16/h3-11,13,15H,12,14H2,1-2H3,(H,23,26)(H,24,25,27)/p-1