methyl 2-cyclopropyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-cyclopropyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-cyclopropyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclopropyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCCC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H22FN3O3S/c1-12-17(20(26)27-2)19(24-18(23-12)14-5-6-14)28-11-16(25)22-10-9-13-3-7-15(21)8-4-13/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,22,25)