methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(furan-2-ylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(furan-2-ylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(2-furylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-4-(3-fluorophenyl)-2-(2-furanylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(furan-2-ylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-4-(3-fluorophenyl)-2-(2-furfurylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCC2=CC=CO2)C3=CC(=CC=C3)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCC2=CC=CO2)C3=CC(=CC=C3)F)C(=O)OC)C

InChI

InChI=1S/C20H22FN3O3/c1-4-24-13(2)17(19(25)26-3)18(14-7-5-8-15(21)11-14)23-20(24)22-12-16-9-6-10-27-16/h5-11,18H,4,12H2,1-3H3,(H,22,23)/t18-/m0/s1