ethyl 6-(chloromethyl)-4-(1-ethylpyrazol-4-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(chloromethyl)-4-(1-ethylpyrazol-4-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(chloromethyl)-4-(1-ethylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(chloromethyl)-4-(1-ethyl-4-pyrazolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(chloromethyl)-4-(1-ethylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(chloromethyl)-4-(1-ethylpyrazol-4-yl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17ClN4O3 MolecularWeight: 312.75208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CCl)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CCl)C(=O)OCC

InChI

InChI=1S/C13H17ClN4O3/c1-3-18-7-8(6-15-18)11-10(12(19)21-4-2)9(5-14)16-13(20)17-11/h6-7,11H,3-5H2,1-2H3,(H2,16,17,20)