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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[2-(2-methylphenyl)sulfanylethanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[[2-(o-tolylsulfanyl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethoxy]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[[2-(o-tolylthio)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CSC3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CSC3=CC=CC=C3C)C

InChI

InChI=1S/C20H21N3O5S/c1-4-26-20(25)16-12(3)28-19-17(16)18(21)22-14(23-19)9-27-15(24)10-29-13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H2,21,22,23)