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

Systemtic Name: 1-[4-[(2S)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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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

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)O

InChI

InChI=1S/C22H23N3O3S/c1-14(26)15-6-10-18(11-7-15)28-12-17(27)13-29-22-24-20-5-3-2-4-19(20)21(25-22)23-16-8-9-16/h2-7,10-11,16-17,27H,8-9,12-13H2,1H3,(H,23,24,25)/t17-/m0/s1