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

Systemtic Name: [5,6-dimethyl-4-(4-propanoylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [5,6-dimethyl-4-(4-propanoylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [5,6-dimethyl-4-[4-(1-oxopropyl)phenoxy]-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [5,6-dimethyl-4-(4-propanoylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [5,6-dimethyl-4-(4-propionylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)C[NH+](CC)CC)C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)C[NH+](CC)CC)C)C

InChI

InChI=1S/C22H27N3O2S/c1-6-18(26)16-9-11-17(12-10-16)27-21-20-14(4)15(5)28-22(20)24-19(23-21)13-25(7-2)8-3/h9-12H,6-8,13H2,1-5H3/p+1