2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5OS/c1-14-15(2)28-21-19(14)20(22-13-23-21)25-17-8-10-26(11-9-17)12-18(27)24-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,24,27)(H,22,23,25)/p+1