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

Systemtic Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-N-(1-methylsulfonyl-4-piperidyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-N-(1-methylsulfonyl-4-piperidinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]-(1-mesyl-4-piperidyl)amine Formula: C21H34N5O2S2+ MolecularWeight: 452.65696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)NC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)NC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H33N5O2S2/c1-14-5-9-25(10-6-14)13-18-23-20(19-15(2)16(3)29-21(19)24-18)22-17-7-11-26(12-8-17)30(4,27)28/h14,17H,5-13H2,1-4H3,(H,22,23,24)/p+1