ethyl 4-azanyl-2-[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[2-(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)-1-oxoethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[2-(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C

InChI

InChI=1S/C22H26N4O6S/c1-6-30-21(28)14-8-11(3)26(13(14)5)9-16(27)32-10-15-24-19(23)17-12(4)18(22(29)31-7-2)33-20(17)25-15/h8H,6-7,9-10H2,1-5H3,(H2,23,24,25)