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

Systemtic Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCCCO

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CS4)NCCCO

InChI

InChI=1S/C18H22N4O2S2/c23-7-2-4-19-17-16-13(14-3-1-10-25-14)12-26-18(16)21-15(20-17)11-22-5-8-24-9-6-22/h1,3,10,12,23H,2,4-9,11H2,(H,19,20,21)/p+1