5,6-dimethyl-N-(4-morpholin-4-ylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-(4-morpholin-4-ylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-(4-morpholinophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[4-(4-morpholinyl)phenyl]-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-(4-morpholin-4-ylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-(4-morpholinophenyl)amine Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)N4CCOCC4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)N4CCOCC4)C[NH+]5CCCC5)C

InChI

InChI=1S/C23H29N5OS/c1-16-17(2)30-23-21(16)22(25-20(26-23)15-27-9-3-4-10-27)24-18-5-7-19(8-6-18)28-11-13-29-14-12-28/h5-8H,3-4,9-15H2,1-2H3,(H,24,25,26)/p+1