N-butyl-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H26N4O3S/c1-4-5-10-23-20(27)14-30-22-25-19-9-7-6-8-18(19)21(26-22)24-15-11-16(28-2)13-17(12-15)29-3/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,23,27)(H,24,25,26)