| PDB CCD ID: | DD0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 F2 N4 O3 |
| InChI: | InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1 |
| InChIKey: | VWSRMVWRUFUXMB-WPRPVWTQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12 | | OpenEye OEToolkits 2.0.7 | COc1c2c(nc(n1)N)CN(C2=O)[C@H]3[C@H](CCCCC3(F)F)O | | OpenEye OEToolkits 2.0.7 | COc1c2c(nc(n1)N)CN(C2=O)C3C(CCCCC3(F)F)O | | CACTVS 3.385 | COc1nc(N)nc2CN([C@H]3[C@@H](O)CCCCC3(F)F)C(=O)c12 |
|
| Name: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
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