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

Systemtic Name: [4-(4-cyano-2-methoxy-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [4-(4-cyano-2-methoxy-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [4-(4-cyano-2-methoxyphenoxy)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [4-(4-cyano-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [4-(4-cyano-2-methoxy-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-6-25(7-2)12-18-23-20(19-13(3)14(4)28-21(19)24-18)27-16-9-8-15(11-22)10-17(16)26-5/h8-10H,6-7,12H2,1-5H3/p+1