2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21N3O2S/c1-13(19(25)14-7-11-16(26-2)12-8-14)27-21-23-18-6-4-3-5-17(18)20(24-21)22-15-9-10-15/h3-8,11-13,15H,9-10H2,1-2H3,(H,22,23,24)