5,6-dimethyl-N-(2-methylsulfanylphenyl)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-(2-methylsulfanylphenyl)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-(2-methylsulfanylphenyl)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[2-(methylthio)phenyl]-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-(2-methylsulfanylphenyl)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-[2-(methylthio)phenyl]amine Formula: C20H25N4OS2+ MolecularWeight: 401.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3SC)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3SC)C[NH+]4CCOCC4)C

InChI

InChI=1S/C20H24N4OS2/c1-13-14(2)27-20-18(13)19(21-15-6-4-5-7-16(15)26-3)22-17(23-20)12-24-8-10-25-11-9-24/h4-7H,8-12H2,1-3H3,(H,21,22,23)/p+1