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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[2-[(3-methylphenyl)carbonylamino]ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[2-(m-toluoylamino)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-4-29-21(28)17-12(3)16-18(22)24-14(25-20(16)31-17)10-30-15(26)9-23-19(27)13-7-5-6-11(2)8-13/h5-8H,4,9-10H2,1-3H3,(H,23,27)(H2,22,24,25)