2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-brosylpiperazino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21BrN4O3S2 MolecularWeight: 545.47184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H21BrN4O3S2/c24-17-6-8-18(9-7-17)33(30,31)28-12-10-27(11-13-28)14-20-25-22(29)21-19(15-32-23(21)26-20)16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,25,26,29)