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

Systemtic Name: phenethyl 3-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-4-24(5-2)17(26)13-25-14-23-20-18(21(25)27)15(3)19(30-20)22(28)29-12-11-16-9-7-6-8-10-16/h6-10,14H,4-5,11-13H2,1-3H3