4-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexanol Formula: C21H27N4O2S2+ MolecularWeight: 431.59468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)O

Isomeric SMILES

C1CC(CCC1NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5)O

InChI

InChI=1S/C21H26N4O2S2/c26-15-5-3-14(4-6-15)22-20-19-16(17-2-1-11-28-17)13-29-21(19)24-18(23-20)12-25-7-9-27-10-8-25/h1-2,11,13-15,26H,3-10,12H2,(H,22,23,24)/p+1