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

Systemtic Name: 5,6-dimethyl-4-phenoxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-phenoxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-phenoxy-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-phenoxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-phenoxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C19H22N3OS+ MolecularWeight: 340.46248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C19H21N3OS/c1-13-14(2)24-19-17(13)18(23-15-8-4-3-5-9-15)20-16(21-19)12-22-10-6-7-11-22/h3-5,8-9H,6-7,10-12H2,1-2H3/p+1