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

Systemtic Name: 5-(4-ethoxyphenyl)-6-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-ethoxyphenyl)-6-methyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-ethoxyphenyl)-6-methyl-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-ethoxyphenyl)-6-methyl-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)-piperidin-1-ium-4-yl-amine Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4CC[NH2+]CC4)C

InChI

InChI=1S/C20H24N4OS/c1-3-25-16-6-4-14(5-7-16)17-13(2)26-20-18(17)19(22-12-23-20)24-15-8-10-21-11-9-15/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,22,23,24)/p+1