2-[(1R)-1-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1R)-1-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-1-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1R)-1-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1R)-1-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1R)-1-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H22N4OS2+2 MolecularWeight: 362.51278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C17H20N4OS2/c1-11(21-7-5-20(2)6-8-21)15-18-16(22)14-12(10-24-17(14)19-15)13-4-3-9-23-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,22)/p+2/t11-/m1/s1