2-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H19ClN3O3S- MolecularWeight: 440.92256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-2-6-16-12-19(27)26-22(24-16)30-13-20(28)25-18-10-9-15(23)11-17(18)21(29)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,25,28)(H,24,26,27)/p-1