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

Systemtic Name: 2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-28-10-6-9-23-20(27)14-31-22-25-19-8-5-4-7-18(19)21(26-22)24-15-11-16(29-2)13-17(12-15)30-3/h4-5,7-8,11-13H,6,9-10,14H2,1-3H3,(H,23,27)(H,24,25,26)