(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylsulfanylquinazolin-4-yl)amino]propan-2-ol

Systemtic Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylsulfanylquinazolin-4-yl)amino]propan-2-ol Openeye Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylsulfanylquinazolin-4-yl)amino]propan-2-ol CAS Name: (2S)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[[2-(methylthio)-4-quinazolinyl]amino]-2-propanol IUPAC Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylsulfanylquinazolin-4-yl)amino]propan-2-ol Traditional Name: (2S)-1-[4-(2-methoxyphenyl)piperazino]-3-[[2-(methylthio)quinazolin-4-yl]amino]propan-2-ol Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(CNC3=NC(=NC4=CC=CC=C43)SC)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C[C@H](CNC3=NC(=NC4=CC=CC=C43)SC)O

InChI

InChI=1S/C23H29N5O2S/c1-30-21-10-6-5-9-20(21)28-13-11-27(12-14-28)16-17(29)15-24-22-18-7-3-4-8-19(18)25-23(26-22)31-2/h3-10,17,29H,11-16H2,1-2H3,(H,24,25,26)/t17-/m0/s1