1-(3-chlorophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(3-chlorophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(3-chlorophenyl)-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(3-chlorophenyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propan-1-one Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3OS/c1-12(18(25)13-5-4-6-14(21)11-13)26-20-23-17-8-3-2-7-16(17)19(24-20)22-15-9-10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,23,24)