2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H26N4O4S/c1-5-23-21-15-8-6-7-9-16(15)25-22(26-21)31-13-19(27)24-12-14-10-17(28-2)20(30-4)18(11-14)29-3/h6-11H,5,12-13H2,1-4H3,(H,24,27)(H,23,25,26)