2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]-1-morpholino-butan-1-one Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-2-20(22(29)28-11-13-30-14-12-28)31-23-26-19-6-4-3-5-18(19)21(27-23)25-15-16-7-9-17(24)10-8-16/h3-10,20H,2,11-15H2,1H3,(H,25,26,27)