5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Openeye Name: 5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate CAS Name: 5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinethiolate IUPAC Name: 5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Traditional Name: 5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-4-thiolate Formula: C13H17N3OS2 MolecularWeight: 295.42358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)[S-])C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)[S-])C[NH+]3CCOCC3)C

InChI

InChI=1S/C13H17N3OS2/c1-8-9(2)19-13-11(8)12(18)14-10(15-13)7-16-3-5-17-6-4-16/h3-7H2,1-2H3,(H,14,15,18)