Compound C18H20N6O2

8-[4-(1H-benzimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

CAS: 74039-64-8

Molecular Formula	`C18H20N6O2`
Molecular Weight	352.4 g/mol
LogP	2.2
Topological Polar Surface Area	98.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	352.16476
Heavy Atoms	26
Complexity	558.0

Chemical Identifiers

CAS Number	74039-64-8
SMILES	`CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC3=NC4=CC=CC=C4N3`
InChIKey	`VEFLECDGOCHYBW-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H20N6O2 (CAS: 74039-64-8) is a chemical compound with molecular formula C18H20N6O2 and molecular weight 352.4 g/mol. Its IUPAC systematic name is 8-[4-(1H-benzimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione. LogP 2.2 Topological Polar Surface Area 98.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 352.16476 Heavy Atoms 26 Complexity 558.0 InChI Key: VEFLECDGOCHYBW-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC3=NC4=CC=CC=C4N3.

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