PDB CCD ID: | S9D |
Number of entries in BioLiP: | 2 |
Chemical formula: | C13 H14 N4 O |
InChI: | InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1 |
InChIKey: | IZVIOVJMKGPYAR-LBPRGKRZSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | C1C[C@H](NN1)c2ccc(Oc3ncccn3)cc2 | OpenEye OEToolkits 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)C3CCNN3 | OpenEye OEToolkits 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3 | CACTVS 3.385 | C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2 |
|
Name: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine |