ethyl 4-azanyl-2-[3-(2-methoxyphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2-methoxyphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2-methoxyphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[3-(2-methoxyphenoxy)-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2-methoxyphenoxy)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[3-(2-methoxyphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCOC3=CC=CC=C3OC)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCOC3=CC=CC=C3OC)N)C

InChI

InChI=1S/C21H23N3O6S/c1-4-28-21(26)18-12(2)17-19(22)23-15(24-20(17)31-18)11-30-16(25)9-10-29-14-8-6-5-7-13(14)27-3/h5-8H,4,9-11H2,1-3H3,(H2,22,23,24)