5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C19H26N7S+ MolecularWeight: 384.52164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H25N7S/c1-14-15(2)27-18-16(14)17(23-13-24-18)20-7-4-8-25-9-11-26(12-10-25)19-21-5-3-6-22-19/h3,5-6,13H,4,7-12H2,1-2H3,(H,20,23,24)/p+1