7-chloranyl-2-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]-3-propyl-quinazolin-4-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(COC3=CC=CC=C3C)O

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC[C@H](COC3=CC=CC=C3C)O

InChI

InChI=1S/C21H23ClN2O3S/c1-3-10-24-20(26)17-9-8-15(22)11-18(17)23-21(24)28-13-16(25)12-27-19-7-5-4-6-14(19)2/h4-9,11,16,25H,3,10,12-13H2,1-2H3/t16-/m0/s1