(8-chloro-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetonitrile

HCID 59299547
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Basic information

Standard SMILES
CCCn1c(=O)n(CC#N)c(=O)c2[nH]c(Cl)nc21
InChIKey
HMYGQWQDAVAJDU-UHFFFAOYSA-N
Molecular formula
C10H10ClN5O2
Average molar mass
267.67 g/mol

Names & identifiers

Preferred name
(8-chloro-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetonitrile
IUPAC
2-(8-chloro-2,6-dioxo-3-propyl-7H-purin-1-yl)acetonitrile

Names & synonyms

SCHEMBL3178146CHEMBL3731137HMYGQWQDAVAJDU-UHFFFAOYSA-N(8-chloro-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetonitrile

Database identifiers

PubChem CID
59299547
ChEMBL
CHEMBL3731137

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
93.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

6 records
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Compound notes

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