3-butyl-2-[(2S)-2-oxidanyl-3-phenoxy-propyl]sulfanyl-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=CC=C3)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C21H24N2O3S/c1-2-3-13-23-20(25)18-11-7-8-12-19(18)22-21(23)27-15-16(24)14-26-17-9-5-4-6-10-17/h4-12,16,24H,2-3,13-15H2,1H3/t16-/m0/s1