6-bromanyl-3-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]quinazolin-4-one Openeye Name: 3-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-6-bromo-quinazolin-4-one CAS Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]quinazolin-4-one Traditional Name: 3-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-6-bromo-quinazolin-4-one Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@@H](CN2C=NC3=C(C2=O)C=C(C=C3)Br)O

InChI

InChI=1S/C21H21BrN2O4/c1-3-4-14-5-8-19(20(9-14)27-2)28-12-16(25)11-24-13-23-18-7-6-15(22)10-17(18)21(24)26/h3,5-10,13,16,25H,1,4,11-12H2,2H3/t16-/m1/s1