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

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H24N4OS/c1-15-22-19(21-8-5-9-24-10-12-25-13-11-24)18-17(14-26-20(18)23-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,21,22,23)/p+1