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

Systemtic Name: 1-[4-methoxy-3-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[4-(phenethylamino)-2-quinazolinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(phenethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[4-(phenethylamino)quinazolin-2-yl]thio]methyl]phenyl]ethanone Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-18(30)20-12-13-24(31-2)21(16-20)17-32-26-28-23-11-7-6-10-22(23)25(29-26)27-15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,28,29)