ethyl 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-cyano-1,2,4-triazol-1-yl)methyl]-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CN3C=NC(=N3)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CN3C=NC(=N3)C#N

InChI

InChI=1S/C16H16N6O4/c1-3-25-15(23)13-10(7-22-8-18-12(6-17)21-22)19-16(24)20-14(13)11-5-4-9(2)26-11/h4-5,8,14H,3,7H2,1-2H3,(H2,19,20,24)