ethyl 6-methyl-4-oxidanylidene-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=C(C(=C(O3)C)C(=O)OCC)C(=O)N2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=C(C(=C(O3)C)C(=O)OCC)C(=O)N2

InChI

InChI=1S/C16H19N5O5S/c1-4-6-21-15(24)19-20-16(21)27-7-9-17-12(22)11-10(14(23)25-5-2)8(3)26-13(11)18-9/h4-7H2,1-3H3,(H,19,24)(H,17,18,22)