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N69

Summary
Name:6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE
Synonyms:INHIBITOR OF CDK2
Formula:C15 H23 N5 O
Formal charge:0
Formula weight:289.376 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(cyclohexylmethoxy)-8-(1-methylethyl)-9H-purin-2-amine
OpenEye OEToolkits1.5.06-(cyclohexylmethoxy)-8-propan-2-yl-9H-purin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1
SMILESCACTVS3.341CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
SMILESOpenEye OEToolkits1.5.0CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
InChIInChI1.03InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyInChI1.03JABXNQUXGJTKRO-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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