2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C23H32N5O2S2+ MolecularWeight: 474.66248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C23H31N5O2S2/c1-15-16(2)31-22-20(15)21(24)25-19(26-22)14-27-10-12-28(13-11-27)32(29,30)18-8-6-17(7-9-18)23(3,4)5/h6-9H,10-14H2,1-5H3,(H2,24,25,26)/p+1