2-cyclopropylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyclopropylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-cyclopropylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-(cyclopropylthio)-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyclopropylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-(cyclopropylthio)-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C20H21F3N4OS MolecularWeight: 422.46715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SC4CC4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SC4CC4

InChI

InChI=1S/C20H21F3N4OS/c21-20(22,23)14-5-3-13(4-6-14)11-24-18(28)16-12-25-19(29-15-7-8-15)26-17(16)27-9-1-2-10-27/h3-6,12,15H,1-2,7-11H2,(H,24,28)