6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine

Systemtic Name: 6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine Openeye Name: 6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine CAS Name: 6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine IUPAC Name: 6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine Traditional Name: 6-(4-bromophenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)thieno[3,2-d]pyrimidine Formula: C18H20BrN4S+ MolecularWeight: 404.3472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)Br

InChI

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