cyclohexylmethyl 4-(4-azanyl-3-fluoranyl-phenyl)-6-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclohexylmethyl 4-(4-azanyl-3-fluoranyl-phenyl)-6-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexylmethyl 4-(4-amino-3-fluoro-phenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-amino-3-fluorophenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-(4-amino-3-fluorophenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-amino-3-fluoro-phenyl)-6-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C20H26FN3O3 MolecularWeight: 375.437143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)N)F)C(=O)OCC3CCCCC3

Isomeric SMILES

CCC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)N)F)C(=O)OCC3CCCCC3

InChI

InChI=1S/C20H26FN3O3/c1-2-16-17(19(25)27-11-12-6-4-3-5-7-12)18(24-20(26)23-16)13-8-9-15(22)14(21)10-13/h8-10,12,18H,2-7,11,22H2,1H3,(H2,23,24,26)