5-(4-bromophenyl)-3-[3-(3-methylphenoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-3-[3-(3-methylphenoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)O

InChI

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