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

Systemtic Name: 3-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(4-bromophenoxy)-2-hydroxy-propyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(4-bromophenoxy)-2-hydroxypropyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(4-bromophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(4-bromophenoxy)-2-hydroxy-propyl]-6-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=CC3=C(S2)N=CN(C3=O)CC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC(COC4=CC=C(C=C4)Br)O

InChI

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