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

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O3/c1-2-29-21(28)18-19(16-9-5-6-10-17(16)23)24-22(25-20(18)27)26-12-11-14-7-3-4-8-15(14)13-26/h3-10,18-19H,2,11-13H2,1H3,(H,24,25,27)