3-(hexanoylamino)-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-(hexanoylamino)-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(hexanoylamino)-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(1-oxohexylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 3-(hexanoylamino)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(caproylamino)-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H16N3O4S2- MolecularWeight: 354.42454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(=O)C2=C(NC1=S)SC(=C2C)C(=O)[O-]

Isomeric SMILES

CCCCCC(=O)NN1C(=O)C2=C(NC1=S)SC(=C2C)C(=O)[O-]

InChI

InChI=1S/C14H17N3O4S2/c1-3-4-5-6-8(18)16-17-12(19)9-7(2)10(13(20)21)23-11(9)15-14(17)22/h3-6H2,1-2H3,(H,15,22)(H,16,18)(H,20,21)/p-1