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

Systemtic Name: diethyl-[[4-(4-methoxycarbonylphenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: diethyl-[[4-(4-methoxycarbonylphenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: diethyl-[[4-(4-methoxycarbonylphenoxy)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl]ammonium IUPAC Name: diethyl-[[4-(4-methoxycarbonylphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: [4-(4-carbomethoxyphenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-6-24(7-2)12-17-22-19(18-13(3)14(4)28-20(18)23-17)27-16-10-8-15(9-11-16)21(25)26-5/h8-11H,6-7,12H2,1-5H3/p+1