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

Systemtic Name: N-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-methoxyphenyl)-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H23N4O2S2+ MolecularWeight: 439.57362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S2/c1-27-16-5-2-4-15(12-16)23-21-20-17(18-6-3-11-29-18)14-30-22(20)25-19(24-21)13-26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,24,25)/p+1