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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[1-oxo-3-(phenylthio)propoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-(3-phenylsulfanylpropanoyloxymethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[3-(phenylthio)propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCSC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCSC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H21N3O4S2/c1-3-26-20(25)17-12(2)16-18(21)22-14(23-19(16)29-17)11-27-15(24)9-10-28-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H2,21,22,23)