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

Systemtic Name: 5-methyl-6-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate Openeye Name: 6-isobutyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate CAS Name: 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate IUPAC Name: 5-methyl-6-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate Traditional Name: 6-isobutyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-2-carboxylate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=O)[O-])CC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(=O)[O-])CC(C)C

InChI

InChI=1S/C12H14N2O3S/c1-5(2)4-7-6(3)8-10(15)13-9(12(16)17)14-11(8)18-7/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15)/p-1