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

Systemtic Name: ethyl 4-azanyl-2-[(3-cyanophenyl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(3-cyanobenzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(3-cyanophenyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-cyanobenzoyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(3-cyanobenzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S/c1-3-26-19(25)15-10(2)14-16(21)22-13(23-17(14)28-15)9-27-18(24)12-6-4-5-11(7-12)8-20/h4-7H,3,9H2,1-2H3,(H2,21,22,23)