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

Systemtic Name: 1-[3-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-(butylamino)-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(butylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-(butylamino)quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C22H25N3O2S/c1-4-5-12-23-21-18-8-6-7-9-19(18)24-22(25-21)28-14-17-13-16(15(2)26)10-11-20(17)27-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,24,25)