C21H18ClFN6O2 structure

C21H18ClFN6O2

8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Also Known As: (E)-8-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|2-CHLORO-6-FLUOROBENZALDEHYDE [3-METHYL-7-(4-METHYLBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE|8-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one

CAS: 536718-95-3
Molecular Formula C21H18ClFN6O2
Molecular Weight 440.1164 g/mol
LogP 3.01852
Topological Polar Surface Area 97.07 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 440.1164
Monoisotopic Mass 440.1164
Heavy Atoms 31
Complexity 1398.8171

Chemical Identifiers

CAS Number 536718-95-3
SMILES CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C/C4=C(C=CC=C4Cl)F)N(C(=O)NC3=O)C

Product Overview

C21H18ClFN6O2 (CAS 536718-95-3), with molecular formula C21H18ClFN6O2 and molecular weight 440.1164 g/mol. IUPAC: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.

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