PDB CCD ID: | W8J |
Number of entries in BioLiP: | 2 |
Chemical formula: | C12 H17 N5 O |
InChI: | InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1 |
InChIKey: | GTHFXQJDSWIMIA-VIFPVBQESA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | c1nc-2c(ncn(c2n1)CCCC3CCOC3)N | CACTVS 3.385 | Nc1ncn(CCC[C@H]2CCOC2)c3ncnc13 | CACTVS 3.385 | Nc1ncn(CCC[CH]2CCOC2)c3ncnc13 | OpenEye OEToolkits 2.0.7 | c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N | ACDLabs 12.01 | C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3 |
|
Name: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |