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

Systemtic Name: 8-[1-[(2-chloranyl-5-fluoranyl-phenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(2-chloro-5-fluoro-phenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(2-chloro-5-fluorophenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(2-chloro-5-fluoro-benzyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H22ClFN6O2 MolecularWeight: 444.889783

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=C(C=CC(=C4)F)Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=C(C=CC(=C4)F)Cl

InChI

InChI=1S/C21H22ClFN6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(23)5-6-16(13)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)