2-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)O)C

InChI

InChI=1S/C23H28N2O3S/c1-15(2)12-25-22(27)20-7-5-6-8-21(20)24-23(25)29-14-18(26)13-28-19-10-16(3)9-17(4)11-19/h5-11,15,18,26H,12-14H2,1-4H3/t18-/m1/s1