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

Systemtic Name: phenethyl 3-[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(2-acetylhydrazino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(acetylhydrazo)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(N'-acetylhydrazino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NNC(=O)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NNC(=O)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5S/c1-12-16-18(21-11-24(19(16)27)10-15(26)23-22-13(2)25)30-17(12)20(28)29-9-8-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3,(H,22,25)(H,23,26)