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

Systemtic Name: (phenylmethyl) 3-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[2-(diethylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(diethylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O4S/c1-4-23(5-2)16(25)11-24-13-22-19-17(20(24)26)14(3)18(29-19)21(27)28-12-15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3