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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-4-16(3)24-21(26)19-10-5-6-11-20(19)23-22(24)28-14-17(25)13-27-18-9-7-8-15(2)12-18/h5-12,16-17,25H,4,13-14H2,1-3H3/t16-,17-/m0/s1