5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(1S)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(1S)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(1S)-1-(2-thienyl)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-4-[[(1S)-1-thiophen-2-ylethyl]amino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(1S)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-(2-piperidin-1-ium-1-ylethyl)-4-[[(1S)-1-(2-thienyl)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H28N5OS2+ MolecularWeight: 430.60992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(C)C3=CC=CS3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@@H](C)C3=CC=CS3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C21H27N5OS2/c1-14-17-19(25-15(2)16-7-6-12-28-16)23-13-24-21(17)29-18(14)20(27)22-8-11-26-9-4-3-5-10-26/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,22,27)(H,23,24,25)/p+1/t15-/m0/s1