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

Systemtic Name: 5-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C18H20BrN4S+ MolecularWeight: 404.3472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H19BrN4S/c1-22-7-2-8-23(10-9-22)17-16-15(11-24-18(16)21-12-20-17)13-3-5-14(19)6-4-13/h3-6,11-12H,2,7-10H2,1H3/p+1