N-ethyl-2-methyl-5-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxy-aniline

Systemtic Name: N-ethyl-2-methyl-5-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxy-aniline Openeye Name: N-ethyl-2-methyl-5-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxy-aniline CAS Name: N-ethyl-2-methyl-5-[[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]oxy]aniline IUPAC Name: N-ethyl-2-methyl-5-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]oxyaniline Traditional Name: ethyl-[2-methyl-5-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]oxy-phenyl]amine Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCNC1=C(C=CC(=C1)OC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H28N4O2S/c1-3-27-22-15-20(10-9-18(22)2)32-25-24-21(19-7-5-4-6-8-19)17-33-26(24)29-23(28-25)16-30-11-13-31-14-12-30/h4-10,15,17,27H,3,11-14,16H2,1-2H3/p+1