2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-4-12-22-20-17-10-5-6-11-18(17)24-21(25-20)28-14-19(26)23-15-8-7-9-16(13-15)27-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)(H,22,24,25)