ethyl 6-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[cyclohexyl-(4-fluorobenzyl)amino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN(CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN(CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C21H28FN3O3/c1-2-28-20(26)18-12-23-21(27)24-19(18)14-25(17-6-4-3-5-7-17)13-15-8-10-16(22)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H2,23,24,27)