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

Systemtic Name: 6-methyl-2-[(2S)-1-oxidanylidene-1-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]propan-2-yl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[(1S)-1-methyl-2-oxo-2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[(2S)-1-oxo-1-[[(1S)-1-(1-phenyl-4-pyrazolyl)ethyl]amino]propan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(2S)-1-oxo-1-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]propan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H20N5O2S- MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)NC(C)C2=CN(N=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-12-9-17(25)23-19(21-12)27-14(3)18(26)22-13(2)15-10-20-24(11-15)16-7-5-4-6-8-16/h4-11,13-14H,1-3H3,(H,22,26)(H,21,23,25)/p-1/t13-,14-/m0/s1