PDB CCD ID: | 9XP |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H17 Cl N6 |
InChI: | InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19) |
InChIKey: | GOBSWYSUEYZTQX-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl | ACDLabs 12.01 | C(n2nc(c1c2ncnc1N)Nc3cccc(Cl)c3)(C)(C)C | CACTVS 3.385 | CC(C)(C)n1nc(Nc2cccc(Cl)c2)c3c(N)ncnc13 |
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Name: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
ChEMBL: | CHEMBL4086945 |