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

Systemtic Name: N-[(2-methoxypyridin-4-yl)methyl]-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(2-methoxy-4-pyridyl)methyl]-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(2-methoxy-4-pyridinyl)methyl]-5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(2-methoxypyridin-4-yl)methyl]-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-[(2-methoxy-4-pyridyl)methyl]amine Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=NC=C3)OC)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=NC=C3)OC)C[NH+]4CCCCC4)C

InChI

InChI=1S/C21H27N5OS/c1-14-15(2)28-21-19(14)20(23-12-16-7-8-22-18(11-16)27-3)24-17(25-21)13-26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,23,24,25)/p+1