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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-10-8-13(19)18-15(16-10)21-9-14(20)17-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,20)(H,16,18,19)/p-1/t11-/m0/s1