2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-(4-mesylphenyl)ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H19N3O3S2/c1-28(25,26)15-10-6-13(7-11-15)18(24)12-27-20-22-17-5-3-2-4-16(17)19(23-20)21-14-8-9-14/h2-7,10-11,14H,8-9,12H2,1H3,(H,21,22,23)