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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[2-(2-methylphenyl)sulfanylethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[2-(o-tolylsulfanyl)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[2-(o-tolylthio)acetyl]oxymethyl]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)CSC3=CC=CC=C3C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CSC3=CC=CC=C3C)N)C

InChI

InChI=1S/C20H21N3O4S2/c1-4-26-20(25)17-12(3)16-18(21)22-14(23-19(16)29-17)9-27-15(24)10-28-13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H2,21,22,23)