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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)Br)C

InChI

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