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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CN3CCCCCC3=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CN3CCCCCC3=O)N)C

InChI

InChI=1S/C19H24N4O5S/c1-3-27-19(26)16-11(2)15-17(20)21-12(22-18(15)29-16)10-28-14(25)9-23-8-6-4-5-7-13(23)24/h3-10H2,1-2H3,(H2,20,21,22)