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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: 2-(4-chlorophenyl)ethyl-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H26ClN4S+ MolecularWeight: 401.97594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=C(C=C3)Cl)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=C(C=C3)Cl)C[NH+]4CCCC4)C

InChI

InChI=1S/C21H25ClN4S/c1-14-15(2)27-21-19(14)20(23-10-9-16-5-7-17(22)8-6-16)24-18(25-21)13-26-11-3-4-12-26/h5-8H,3-4,9-13H2,1-2H3,(H,23,24,25)/p+1