2-[[methyl-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[methyl-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C20H23N3O3/c1-14-7-9-16(10-8-14)26-13-15(24)11-23(2)12-19-21-18-6-4-3-5-17(18)20(25)22-19/h3-10,15,24H,11-13H2,1-2H3,(H,21,22,25)/t15-/m0/s1