6-methyl-5-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-6-methyl-pyrimidin-4-olate Formula: C24H26N3O2S- MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O2S/c1-17(13-14-19-9-5-3-6-10-19)25-22(28)15-21-18(2)26-24(27-23(21)29)30-16-20-11-7-4-8-12-20/h3-12,17H,13-16H2,1-2H3,(H,25,28)(H,26,27,29)/p-1/t17-/m1/s1