PDB CCD ID: | 94M |
Number of entries in BioLiP: | 6 |
Chemical formula: | C14 H15 Cl N6 O |
InChI: | InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) |
InChIKey: | QULDDKSCVCJTPV-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N | OpenEye OEToolkits 1.7.0 | Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N | CACTVS 3.370 | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C |
|
Name: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine; BIIB021 |
ChEMBL: | CHEMBL467399 |
DrugBank: | DB12359 |
ZINC: | ZINC000014974583 |