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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-N-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-phenyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-3-7-18(8-4-1)15-25-23-22-20(19-9-5-2-6-10-19)17-30-24(22)27-21(26-23)16-28-11-13-29-14-12-28/h1-10,17H,11-16H2,(H,25,26,27)/p+1