2-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thio]-3-ethyl-quinazolin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=C(C=CC=C3C)C)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=C(C=CC=C3C)C)O

InChI

InChI=1S/C21H24N2O3S/c1-4-23-20(25)17-10-5-6-11-18(17)22-21(23)27-13-16(24)12-26-19-14(2)8-7-9-15(19)3/h5-11,16,24H,4,12-13H2,1-3H3/t16-/m0/s1