6-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-(2-keto-2-mesidino-ethyl)pyrimidin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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