N-cyclooctyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-cyclooctyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-cyclooctyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-cyclooctyl-2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-cyclooctyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: cyclooctyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CCC1)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H32N4OS/c1-2-7-11-20(12-8-3-1)26-24-23-21(19-9-5-4-6-10-19)18-31-25(23)28-22(27-24)17-29-13-15-30-16-14-29/h4-6,9-10,18,20H,1-3,7-8,11-17H2,(H,26,27,28)/p+1