1-[3-methoxy-4-[3-[4-(methylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[3-[4-(methylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[[4-(methylamino)-2-quinazolinyl]thio]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-[[4-(methylamino)quinazolin-2-yl]thio]propoxy]-3-methoxy-phenyl]ethanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13(25)14-8-9-18(19(10-14)27-3)28-11-15(26)12-29-21-23-17-7-5-4-6-16(17)20(22-2)24-21/h4-10,15,26H,11-12H2,1-3H3,(H,22,23,24)