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

Systemtic Name: 3-[(3-bromophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-bromophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-bromobenzyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2OS MolecularWeight: 425.34148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2OS/c1-2-14-6-8-16(9-7-14)18-12-26-20-19(18)21(25)24(13-23-20)11-15-4-3-5-17(22)10-15/h3-10,12-13H,2,11H2,1H3