3-[(2S)-butan-2-yl]-2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(2S)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC(=CC(=C3)C)C)O

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC(=CC(=C3)C)C)O

InChI

InChI=1S/C23H28N2O3S/c1-5-17(4)25-22(27)20-8-6-7-9-21(20)24-23(25)29-14-18(26)13-28-19-11-15(2)10-16(3)12-19/h6-12,17-18,26H,5,13-14H2,1-4H3/t17-,18-/m0/s1