N-(5-acetamido-2-methoxy-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-(methylamino)quinazolin-2-yl]thio]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C20H21N5O3S/c1-12(26)22-13-8-9-17(28-3)16(10-13)23-18(27)11-29-20-24-15-7-5-4-6-14(15)19(21-2)25-20/h4-10H,11H2,1-3H3,(H,22,26)(H,23,27)(H,21,24,25)