1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[4-(trifluoromethyl)phenyl]-7H-purine-2,6-quinone Formula: C18H19F3N4O2 MolecularWeight: 380.36427

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c1-3-9-24-15-13(16(26)25(10-4-2)17(24)27)22-14(23-15)11-5-7-12(8-6-11)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,23)