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

Systemtic Name: ethyl 6-[(3-cyanophenoxy)methyl]-4-(1-ethylpyrazol-4-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyanophenoxy)methyl]-4-(1-ethylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-cyanophenoxy)methyl]-4-(1-ethyl-4-pyrazolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-cyanophenoxy)methyl]-4-(1-ethylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-cyanophenoxy)methyl]-4-(1-ethylpyrazol-4-yl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)COC3=CC=CC(=C3)C#N)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)COC3=CC=CC(=C3)C#N)C(=O)OCC

InChI

InChI=1S/C20H21N5O4/c1-3-25-11-14(10-22-25)18-17(19(26)28-4-2)16(23-20(27)24-18)12-29-15-7-5-6-13(8-15)9-21/h5-8,10-11,18H,3-4,12H2,1-2H3,(H2,23,24,27)