(phenylmethyl) 2-ethyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-ethyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-ethyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)N1

Isomeric SMILES

CCC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)N1

InChI

InChI=1S/C17H16N2O3S/c1-3-12-18-15(20)13-10(2)14(23-16(13)19-12)17(21)22-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19,20)