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

Systemtic Name: 5-methyl-3-(3-methylbutyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-isopentyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(3-methylbutyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-isoamyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(C)C)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-7(2)4-5-15-6-14-11-9(12(15)16)8(3)10(19-11)13(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)/p-1