3-(2-methylpropyl)-2-[(2R)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[(2R)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2R)-2-hydroxy-3-phenoxy-propyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[(2R)-2-hydroxy-3-phenoxypropyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(2R)-2-hydroxy-3-phenoxypropyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[(2R)-2-hydroxy-3-phenoxy-propyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C21H24N2O3S/c1-15(2)12-23-20(25)18-10-6-7-11-19(18)22-21(23)27-14-16(24)13-26-17-8-4-3-5-9-17/h3-11,15-16,24H,12-14H2,1-2H3/t16-/m1/s1