HIKCZYOCRLXLCU-BUVRLJJBSA-N structure

HIKCZYOCRLXLCU-BUVRLJJBSA-N

8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione

Also Known As: BAS 00383908|AG-690/09888025|4-bromobenzaldehyde (3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone|8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione|8-{[(1E)-2-(4-bromophenyl)-1-azavinyl]amino}-3-methyl-7-nonyl-1,3,7-trihydropu rine-2,6-dione

CAS: 331658-99-2
Molecular Formula C22H29BrN6O2
Molecular Weight 488.15353 g/mol
LogP 4.3824
Topological Polar Surface Area 97.07 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 11
Exact Mass 488.15353
Monoisotopic Mass 488.15353
Heavy Atoms 31
Complexity 1143.748

Chemical Identifiers

CAS Number 331658-99-2
SMILES CCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Product Overview

HIKCZYOCRLXLCU-BUVRLJJBSA-N (CAS 331658-99-2), with molecular formula C22H29BrN6O2 and molecular weight 488.15353 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione.

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