4-[[4-(azetidin-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(azetidin-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(azetidin-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1-azetidinyl)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(azetidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(azetidin-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C18H21N4OS2+ MolecularWeight: 373.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

C1CN(C1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C18H20N4OS2/c1-3-14(24-10-1)13-12-25-18-16(13)17(22-4-2-5-22)19-15(20-18)11-21-6-8-23-9-7-21/h1,3,10,12H,2,4-9,11H2/p+1