6-(4-bromophenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: 6-(4-bromophenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]thieno[3,2-d]pyrimidin-4-amine Openeye Name: 6-(4-bromophenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]thieno[3,2-d]pyrimidin-4-amine CAS Name: 6-(4-bromophenyl)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-4-thieno[3,2-d]pyrimidinamine IUPAC Name: 6-(4-bromophenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]thieno[3,2-d]pyrimidin-4-amine Traditional Name: [6-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]amine Formula: C20H25BrN5S+ MolecularWeight: 447.415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC2=NC=NC3=C2SC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H24BrN5S/c1-25-9-11-26(12-10-25)8-2-7-22-20-19-17(23-14-24-20)13-18(27-19)15-3-5-16(21)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,22,23,24)/p+1