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

Systemtic Name: 5,6-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C20H24N4S/c1-14-15(2)25-20-18(14)19(22-13-23-20)21-11-16-5-7-17(8-6-16)12-24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22,23)/p+1