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

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzyloxyanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzoxyanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-2-6-18-13-20(26)25-22(24-18)29-15-21(27)23-17-9-11-19(12-10-17)28-14-16-7-4-3-5-8-16/h3-5,7-13H,2,6,14-15H2,1H3,(H,23,27)(H,24,25,26)/p-1