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

Systemtic Name: N-(3,4-dimethoxyphenyl)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3,4-dimethoxyphenyl)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3,4-dimethoxyphenyl)-5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3,4-dimethoxyphenyl)-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dimethoxyphenyl)-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)OC)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)OC)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H28N4O2S/c1-14-15(2)29-22-20(14)21(23-16-8-9-17(27-3)18(12-16)28-4)24-19(25-22)13-26-10-6-5-7-11-26/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,23,24,25)/p+1