3-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C[C@@H](COC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H17BrN2O3S/c22-15-6-8-17(9-7-15)27-11-16(25)10-24-13-23-20-19(21(24)26)18(12-28-20)14-4-2-1-3-5-14/h1-9,12-13,16,25H,10-11H2/t16-/m0/s1