6-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-15(17-10-6-3-7-11-17)22-19(25)12-18-13-20(26)24-21(23-18)27-14-16-8-4-2-5-9-16/h2-11,13,15H,12,14H2,1H3,(H,22,25)(H,23,24,26)/p-1/t15-/m0/s1