| PDB CCD ID: | YOW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H23 N7 O2 |
| InChI: | InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27) |
| InChIKey: | ILOFWCAZDNILKY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CN(C4)C(=O)COCCc5cnn[nH]5 | | ACDLabs 12.01 | O=C(COCCc1cnn[NH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 | | CACTVS 3.385 | O=C(COCCc1[nH]nnc1)N2Cc3cnc(NC4Cc5ccccc5C4)nc3C2 |
|
| Name: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one |
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