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

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(phenethylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C22H25N3O4S/c1-14(2)12-29-22(28)19-15(3)18-20(30-19)24-13-25(21(18)27)11-17(26)23-10-9-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,23,26)