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

Systemtic Name: 2-methylpropyl 5-methyl-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(isobutylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(isobutylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-10(2)6-19-13(22)7-21-9-20-16-14(17(21)23)12(5)15(26-16)18(24)25-8-11(3)4/h9-11H,6-8H2,1-5H3,(H,19,22)