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

Systemtic Name: ethyl 4-azanyl-2-(3-benzamidobutanoyloxymethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-(3-benzamidobutanoyloxymethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[(3-benzamido-1-oxobutoxy)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-benzamidobutanoyloxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-(3-benzamidobutanoyloxymethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-4-30-22(29)18-13(3)17-19(23)25-15(26-21(17)32-18)11-31-16(27)10-12(2)24-20(28)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,24,28)(H2,23,25,26)