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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(C)CCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@H](C)CCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H21N3O2S/c1-12(8-9-14-6-4-3-5-7-14)18-16(22)11-23-17-19-13(2)10-15(21)20-17/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,22)(H,19,20,21)/p-1/t12-/m1/s1