3-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H17BrN2O3S MolecularWeight: 409.29748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H17BrN2O3S/c1-2-14-7-15-16(24-14)19-10-20(17(15)22)8-12(21)9-23-13-5-3-11(18)4-6-13/h3-7,10,12,21H,2,8-9H2,1H3/t12-/m0/s1