N-tert-butyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

InChI

InChI=1S/C21H30N4O3S/c1-21(2,3)23-18(26)15-29-20-22-17-8-5-4-7-16(17)19(27)25(20)10-6-9-24-11-13-28-14-12-24/h4-5,7-8H,6,9-15H2,1-3H3,(H,23,26)