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

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-2-6-16-13-19(25)24-21(23-16)28-14-20(26)22-15-9-11-18(12-10-15)27-17-7-4-3-5-8-17/h3-5,7-13H,2,6,14H2,1H3,(H,22,26)(H,23,24,25)/p-1