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

Systemtic Name: 5,6-dimethyl-4-pyridin-3-yloxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(3-pyridyloxy)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-(3-pyridinyloxy)-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-pyridin-3-yloxy-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(3-pyridyloxy)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C18H21N4OS+ MolecularWeight: 341.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-12-13(2)24-18-16(12)17(23-14-6-5-7-19-10-14)20-15(21-18)11-22-8-3-4-9-22/h5-7,10H,3-4,8-9,11H2,1-2H3/p+1