6-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(p-tolylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[(4-methylbenzyl)amino]ethyl]pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-15-7-9-16(10-8-15)13-22-19(25)11-18-12-20(26)24-21(23-18)27-14-17-5-3-2-4-6-17/h2-10,12H,11,13-14H2,1H3,(H,22,25)(H,23,24,26)/p-1