6-bromanyl-3-[(2R)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2R)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one CAS Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Br)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@@H](CN2C=NC3=C(C2=O)C=C(C=C3)Br)O)C

InChI

InChI=1S/C20H21BrN2O3/c1-12-4-5-13(2)19(14(12)3)26-10-16(24)9-23-11-22-18-7-6-15(21)8-17(18)20(23)25/h4-8,11,16,24H,9-10H2,1-3H3/t16-/m1/s1