[4-(3-acetamidophenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium

Systemtic Name: [4-(3-acetamidophenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [4-(3-acetamidophenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [4-(3-acetamidophenoxy)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [4-(3-acetamidophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [4-(3-acetamidophenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)OC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)OC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H26N4O2S/c1-6-25(7-2)12-18-23-20(19-13(3)14(4)28-21(19)24-18)27-17-10-8-9-16(11-17)22-15(5)26/h8-11H,6-7,12H2,1-5H3,(H,22,26)/p+1