5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3,4-dimethoxyphenyl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C25H28N5O3S+ MolecularWeight: 478.58652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)NCC[NH+]4CCOCC4)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)NCC[NH+]4CCOCC4)C5=CN=CC=C5)OC

InChI

InChI=1S/C25H27N5O3S/c1-31-20-6-5-17(14-21(20)32-2)19-16-34-25-22(19)24(27-8-9-30-10-12-33-13-11-30)28-23(29-25)18-4-3-7-26-15-18/h3-7,14-16H,8-13H2,1-2H3,(H,27,28,29)/p+1