ethyl 4-azanyl-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCC3=C(N=C(N=C3C)SC)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCC3=C(N=C(N=C3C)SC)C)N)C

InChI

InChI=1S/C21H25N5O4S2/c1-6-29-20(28)17-10(2)16-18(22)25-14(26-19(16)32-17)9-30-15(27)8-7-13-11(3)23-21(31-5)24-12(13)4/h6-9H2,1-5H3,(H2,22,25,26)