(2S)-N-cyclopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-cyclopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-(4-thieno[3,2-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-cyclopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)propionamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SC=C4

InChI

InChI=1S/C16H21N5OS/c1-11(16(22)19-12-2-3-12)20-5-7-21(8-6-20)15-14-13(4-9-23-14)17-10-18-15/h4,9-12H,2-3,5-8H2,1H3,(H,19,22)/p+1/t11-/m0/s1