4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3-bromophenyl)sulfonylpiperazino]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Formula: C23H21BrN4O3S2 MolecularWeight: 545.47184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C23H21BrN4O3S2/c1-31-18-7-5-16(6-8-18)20-14-32-23-21(20)22(25-15-26-23)27-9-11-28(12-10-27)33(29,30)19-4-2-3-17(24)13-19/h2-8,13-15H,9-12H2,1H3