3-butyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-butyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-butyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-butyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-butyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-butyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C12H14N2O3S/c1-3-4-5-14-6-13-10-8(11(14)15)7(2)9(18-10)12(16)17/h6H,3-5H2,1-2H3,(H,16,17)/p-1