2-[3-(trifluoromethyl)phenyl]ethyl 4-(2-azanylpropanoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-(2-azanylpropanoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-(2-aminopropanoyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[(2-amino-1-oxopropoxy)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-[3-(trifluoromethyl)phenyl]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-(2-aminopropanoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(alanyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-[3-(trifluoromethyl)phenyl]ethyl ester Formula: C19H22F3N3O4S MolecularWeight: 445.45589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)C(C)N)C(=O)OCCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)C(C)N)C(=O)OCCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O4S/c1-10(23)16(26)29-9-14-15(11(2)24-18(30)25-14)17(27)28-7-6-12-4-3-5-13(8-12)19(20,21)22/h3-5,8,10,14H,6-7,9,23H2,1-2H3,(H2,24,25,30)