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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[3-(p-tolylsulfonylamino)propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[3-(tosylamino)propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C)N)C

InChI

InChI=1S/C21H24N4O6S2/c1-4-30-21(27)18-13(3)17-19(22)24-15(25-20(17)32-18)11-31-16(26)9-10-23-33(28,29)14-7-5-12(2)6-8-14/h5-8,23H,4,9-11H2,1-3H3,(H2,22,24,25)