4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C22H27N4S+ MolecularWeight: 379.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC4=CC=CC=C4C3)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC4=CC=CC=C4C3)C[NH+]5CCCC5)C

InChI

InChI=1S/C22H26N4S/c1-15-16(2)27-22-20(15)21(23-19(24-22)14-25-10-5-6-11-25)26-12-9-17-7-3-4-8-18(17)13-26/h3-4,7-8H,5-6,9-14H2,1-2H3/p+1