5-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-phenyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-phenylthieno[2,3-d]pyrimidin-4-yl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C21H26N4S/c1-20(2)10-15(11-21(3,4)25-20)24-18-17-16(14-8-6-5-7-9-14)12-26-19(17)23-13-22-18/h5-9,12-13,15,25H,10-11H2,1-4H3,(H,22,23,24)/p+1