N-[4-(3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide

HCID 21891817
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Basic information

Standard SMILES
CCCCn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21
InChIKey
ZUHUNHNOZMQILV-UHFFFAOYSA-N
Molecular formula
C18H21N5O3
Average molar mass
355.4 g/mol

Names & identifiers

Preferred name
N-[4-(3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide
IUPAC
N-[4-[(3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]acetamide

Names & synonyms

SCHEMBL3986626ZUHUNHNOZMQILV-UHFFFAOYSA-NN-[4-(3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide

Database identifiers

PubChem CID
21891817

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

3 records
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Compound notes

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