2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinethiolate IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Formula: C11H13N3OS2 MolecularWeight: 267.37042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=C3C=CSC3=N2)[S-]

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=C3C=CSC3=N2)[S-]

InChI

InChI=1S/C11H13N3OS2/c16-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-15-5-3-14/h1,6H,2-5,7H2,(H,12,13,16)