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

Systemtic Name: 2,6-dimethyl-5-(4-methylphenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2,6-dimethyl-N-piperidin-1-ium-4-yl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2,6-dimethyl-5-(4-methylphenyl)-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2,6-dimethyl-5-(4-methylphenyl)-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [2,6-dimethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC(=NC(=C23)NC4CC[NH2+]CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC(=NC(=C23)NC4CC[NH2+]CC4)C)C

InChI

InChI=1S/C20H24N4S/c1-12-4-6-15(7-5-12)17-13(2)25-20-18(17)19(22-14(3)23-20)24-16-8-10-21-11-9-16/h4-7,16,21H,8-11H2,1-3H3,(H,22,23,24)/p+1