8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H21F3N6O2 MolecularWeight: 446.42565

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N6O2/c1-3-10-28-18-15(19(31)29(11-4-2)20(28)32)26-17(27-18)14-12-25-30(16(14)21(22,23)24)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,26,27)