| PDB CCD ID: | GYQ |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H17 N7 O2 |
| InChI: | InChI=1S/C18H17N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,23,27)/b22-13+/t11-,12- |
| InChIKey: | JCBSNZZSUFHWSE-UGHOIBRWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1Nc2cnc(N=C3C=CC=NC3=O)nc2N1[C@@H]4CC[C@H](CC4)CC#N | | OpenEye OEToolkits 2.0.6 | c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N | | CACTVS 3.385 | O=C1Nc2cnc(N=C3C=CC=NC3=O)nc2N1[CH]4CC[CH](CC4)CC#N | | OpenEye OEToolkits 2.0.6 | c1c2c(nc(n1)N=C3C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N |
|
| Name: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile |
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