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

Systemtic Name: 5-(4-bromophenyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-(4-mesyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine Formula: C18H19BrN4O2S2 MolecularWeight: 467.40306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H19BrN4O2S2/c1-27(24,25)23-8-2-7-22(9-10-23)17-16-15(11-26-18(16)21-12-20-17)13-3-5-14(19)6-4-13/h3-6,11-12H,2,7-10H2,1H3