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

Systemtic Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thio]quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](CSC2=NC3=CC=CC=C3C(=O)N2CC=C)O

InChI

InChI=1S/C22H24N2O3S/c1-4-12-24-21(26)18-10-5-6-11-19(18)23-22(24)28-14-17(25)13-27-20-15(2)8-7-9-16(20)3/h4-11,17,25H,1,12-14H2,2-3H3/t17-/m1/s1