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

Systemtic Name: 1-[4-methoxy-3-[[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(benzylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-(benzylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-(benzylamino)quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-17(29)19-12-13-23(30-2)20(14-19)16-31-25-27-22-11-7-6-10-21(22)24(28-25)26-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,26,27,28)