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

Systemtic Name: 8-[1-[(3-chloranyl-2-fluoranyl-phenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(3-chloro-2-fluoro-phenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(3-chloro-2-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)Cl)F

Isomeric SMILES

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

InChI

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