2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]-1-phenyl-ethanone Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O3S/c1-29-18-12-17(13-19(14-18)30-2)25-23-20-10-6-7-11-21(20)26-24(27-23)31-15-22(28)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,26,27)