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

Systemtic Name: 1-[3-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-(cyclohexylamino)-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-(cyclohexylamino)quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

InChI

InChI=1S/C24H27N3O2S/c1-16(28)17-12-13-22(29-2)18(14-17)15-30-24-26-21-11-7-6-10-20(21)23(27-24)25-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H,25,26,27)