2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-propyl-pyrimidin-4-olate Formula: C22H17ClN3O2S- MolecularWeight: 422.90728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H18ClN3O2S/c1-2-6-15-12-18(27)26-22(24-15)29-20-19(13-7-4-3-5-8-13)16-11-14(23)9-10-17(16)25-21(20)28/h3-5,7-12H,2,6H2,1H3,(H,25,28)(H,24,26,27)/p-1