(4-dimethylaminophenyl)methyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C21H26N4O3S/c1-6-25(11-14-7-9-15(10-8-14)24(3)4)12-16-22-19(26)17-13(2)18(21(27)28-5)29-20(17)23-16/h7-10H,6,11-12H2,1-5H3,(H,22,23,26)/p+1