6-Chloro-9-phenyl-9H-purine

Catalog:	BB062659
Product Name:	6-Chloro-9-phenyl-9H-purine
Synonyms:	6-chloro-9-phenyl-9h-purine; 6-chloro-9-phenylpurine

Technical Data

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Computed Properties

Related CAS:	5470-24-6
IUPAC Name:	6-chloro-9-phenylpurine
Molecular Weight:	230.65
Molecular Formula:	C11H7ClN4
Canonical SMILES:	C1=CC=C(C=C1)N2C=NC3=C2N=CN=C3Cl
InChI:	InChI=1S/C11H7ClN4/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h1-7H
InChI Key:	MNWAWPZGZXXLBU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2021163484-A1	Method for synthesizing diversely substituted purines	20170503
WO-2013182612-A1	Glucose transport inhibitors	20120607
AU-630439-B2	Aminop derivatives of indazole and purine	19890329
CA-2013380-C	Selective adenosine receptor agents	19890329
CA-2013381-C	Selective adenosine receptor compounds	19890329
EP-0390111-A2	Selective adenosine receptor compounds	19890329
EP-0390111-B1	Selective adenosine receptor compounds	19890329
EP-0390112-A2	Selective adenosine receptor agents	19890329
FI-95133-B	Process for the preparation of new therapeutically useful diimidazopyrimidine and imidazopyrazolopyrimidine derivatives	19890329
FI-95133-C	Process for the preparation of new therapeutically useful diimidazopyrimidine and imidazopyrazolopyrimidine derivatives	19890329

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.0359239
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.0359239
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7