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

Systemtic Name: 5,6-dimethyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C20H26N5S+ MolecularWeight: 368.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)CN3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)CN3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H25N5S/c1-14-15(2)26-20-18(14)19(21)22-17(23-20)13-25-10-8-24(9-11-25)12-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H2,21,22,23)/p+1