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

Systemtic Name: ethyl 2-[(4-acetamidophenyl)carbonyloxymethyl]-4-azanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(4-acetamidophenyl)-oxomethoxy]methyl]-4-amino-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-4-28-20(27)16-10(2)15-17(21)23-14(24-18(15)30-16)9-29-19(26)12-5-7-13(8-6-12)22-11(3)25/h5-8H,4,9H2,1-3H3,(H,22,25)(H2,21,23,24)