2-(3-azanylpropylamino)-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 2-(3-azanylpropylamino)-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-(3-aminopropylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-(3-aminopropylamino)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-(3-aminopropylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide Traditional Name: 2-(3-aminopropylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide Formula: C15H17F3N6O MolecularWeight: 354.33029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCCN)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCCN)C(F)(F)F

InChI

InChI=1S/C15H17F3N6O/c16-15(17,18)9-3-1-4-10(7-9)23-13-11(12(20)25)8-22-14(24-13)21-6-2-5-19/h1,3-4,7-8H,2,5-6,19H2,(H2,20,25)(H2,21,22,23,24)