2-[(2R)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-3-isopropyl-quinazolin-4-one CAS Name: 2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thio]-3-isopropyl-quinazolin-4-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)O

InChI

InChI=1S/C22H26N2O3S/c1-14(2)24-21(26)18-10-5-6-11-19(18)23-22(24)28-13-17(25)12-27-20-15(3)8-7-9-16(20)4/h5-11,14,17,25H,12-13H2,1-4H3/t17-/m1/s1