2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(2-phenylanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-phenylanilino)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)SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)[O-]

InChI

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