4-isoquinolin-7-yloxy-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-isoquinolin-7-yloxy-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(7-isoquinolyloxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(7-isoquinolinyloxy)-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-isoquinolin-7-yloxy-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(7-isoquinolyloxy)-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC4=C(C=C3)C=CN=C4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC4=C(C=C3)C=CN=C4)C[NH+]5CCCC5)C

InChI

InChI=1S/C22H22N4OS/c1-14-15(2)28-22-20(14)21(24-19(25-22)13-26-9-3-4-10-26)27-18-6-5-16-7-8-23-12-17(16)11-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3/p+1