methyl 4-methyl-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(1-pyrrolidinyl)-5-pyrimidinyl]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(2-pyrrolidinopyrimidin-5-yl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22F3N5O2S MolecularWeight: 477.50259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(N=C3)N4CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(N=C3)N4CCCC4)C(=O)OC

InChI

InChI=1S/C22H22F3N5O2S/c1-13-17(19(31)32-2)18(14-11-26-20(27-12-14)29-8-3-4-9-29)28-21(33)30(13)16-7-5-6-15(10-16)22(23,24)25/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,28,33)