3-(2,4-dimethylphenyl)-2-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[(2S)-2-hydroxy-3-morpholino-propyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]thio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[[(2S)-2-hydroxy-3-morpholino-propyl]thio]quinazolin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(CN4CCOCC4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](CN4CCOCC4)O)C

InChI

InChI=1S/C23H27N3O3S/c1-16-7-8-21(17(2)13-16)26-22(28)19-5-3-4-6-20(19)24-23(26)30-15-18(27)14-25-9-11-29-12-10-25/h3-8,13,18,27H,9-12,14-15H2,1-2H3/t18-/m0/s1