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

Systemtic Name: 2-(4-azanylbutylamino)-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-(4-aminobutylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-(4-aminobutylamino)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-(4-aminobutylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide Traditional Name: 2-(4-aminobutylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide Formula: C16H19F3N6O MolecularWeight: 368.35687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N6O/c17-16(18,19)10-4-3-5-11(8-10)24-14-12(13(21)26)9-23-15(25-14)22-7-2-1-6-20/h3-5,8-9H,1-2,6-7,20H2,(H2,21,26)(H2,22,23,24,25)