1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-(cyclopropylamino)-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-(cyclopropylamino)quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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