3-[(3-bromophenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(3-bromophenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-5-(4-propoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-bromophenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-bromobenzyl)-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-2-10-27-18-8-6-16(7-9-18)19-13-28-21-20(19)22(26)25(14-24-21)12-15-4-3-5-17(23)11-15/h3-9,11,13-14H,2,10,12H2,1H3