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

Systemtic Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)O)OC

InChI

InChI=1S/C23H25N3O4S/c1-14(27)15-7-10-20(21(11-15)29-2)30-12-17(28)13-31-23-25-19-6-4-3-5-18(19)22(26-23)24-16-8-9-16/h3-7,10-11,16-17,28H,8-9,12-13H2,1-2H3,(H,24,25,26)