5-(2-hydroxyethyl)-6-methyl-2-[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-anilino-2-oxo-1-phenyl-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(1S)-2-anilino-2-oxo-1-phenylethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(1S)-2-anilino-2-oxo-1-phenylethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-anilino-2-keto-1-phenyl-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)[O-])CCO

InChI

InChI=1S/C21H21N3O3S/c1-14-17(12-13-25)19(26)24-21(22-14)28-18(15-8-4-2-5-9-15)20(27)23-16-10-6-3-7-11-16/h2-11,18,25H,12-13H2,1H3,(H,23,27)(H,22,24,26)/p-1/t18-/m0/s1