3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(7H-purin-6-ylamino)-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C15H13F3N6O MolecularWeight: 350.29853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC2=NC=NC3=C2NC=N3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC2=NC=NC3=C2NC=N3)C(F)(F)F

InChI

InChI=1S/C15H13F3N6O/c16-15(17,18)9-2-1-3-10(6-9)24-11(25)4-5-19-13-12-14(21-7-20-12)23-8-22-13/h1-3,6-8H,4-5H2,(H,24,25)(H2,19,20,21,22,23)