6-ethyl-5-(4-ethylphenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)CC

InChI

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