3-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(3-bromophenoxy)-2-hydroxy-propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(3-bromophenoxy)-2-hydroxy-propyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(COC3=CC(=CC=C3)Br)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(COC3=CC(=CC=C3)Br)O)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN2O3S/c1-14-19(15-6-3-2-4-7-15)20-21(29-14)24-13-25(22(20)27)11-17(26)12-28-18-9-5-8-16(23)10-18/h2-10,13,17,26H,11-12H2,1H3