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

Systemtic Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-2-21(28)15-7-11-18(12-8-15)29-13-17(27)14-30-23-25-20-6-4-3-5-19(20)22(26-23)24-16-9-10-16/h3-8,11-12,16-17,27H,2,9-10,13-14H2,1H3,(H,24,25,26)