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

Systemtic Name: 2-[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-anilino-2-oxo-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S)-2-anilino-2-oxo-1-phenylethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S)-2-anilino-2-oxo-1-phenylethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-anilino-2-keto-1-phenyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H21N3O2S/c1-2-9-17-14-18(25)24-21(23-17)27-19(15-10-5-3-6-11-15)20(26)22-16-12-7-4-8-13-16/h3-8,10-14,19H,2,9H2,1H3,(H,22,26)(H,23,24,25)/p-1/t19-/m0/s1