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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-dimethoxyphenyl)-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C23H25N4O3S2+ MolecularWeight: 469.5996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)OC

InChI

InChI=1S/C23H24N4O3S2/c1-28-17-6-5-15(12-18(17)29-2)24-22-21-16(19-4-3-11-31-19)14-32-23(21)26-20(25-22)13-27-7-9-30-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,25,26)/p+1