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

Systemtic Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-6-methyl-2-(4-oxidanylbutylamino)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(4-hydroxybutylamino)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-4-(3-fluorophenyl)-2-(4-hydroxybutylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-4-(3-fluorophenyl)-2-(4-hydroxybutylamino)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-4-(3-fluorophenyl)-2-(4-hydroxybutylamino)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H26FN3O3 MolecularWeight: 363.426443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCCCCO)C2=CC(=CC=C2)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCCCCO)C2=CC(=CC=C2)F)C(=O)OC)C

InChI

InChI=1S/C19H26FN3O3/c1-4-23-13(2)16(18(25)26-3)17(14-8-7-9-15(20)12-14)22-19(23)21-10-5-6-11-24/h7-9,12,17,24H,4-6,10-11H2,1-3H3,(H,21,22)/t17-/m0/s1