CHEBI:92512 - 6-(3-chloroanilino)-9-cyclopentyl-2-purinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(3-chloroanilino)-9-cyclopentyl-2-purinecarbonitrile
ChEBI ID CHEBI:92512
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H15ClN6
Net Charge 0
Average Mass 338.795
Monoisotopic Mass 338.10467
InChI InChI=1S/C17H15ClN6/c18-11-4-3-5-12(8-11)21-16-15-17(23-14(9-19)22-16)24(10-20-15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7H2,(H,21,22,23)
InChIKey SKIHJAAPCWIBJZ-UHFFFAOYSA-N
SMILES C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)Cl)C#N
ChEBI Ontology
Outgoing 6-(3-chloroanilino)-9-cyclopentyl-2-purinecarbonitrile (CHEBI:92512) is a 6-aminopurines (CHEBI:20706)
Manual Xref Database
LSM-2638 LINCS
View more database links