| PDB CCD ID: | A1EEE |
| Number of entries in BioLiP: | 28 |
| Chemical formula: | C26 H30 F3 N7 O3 |
| InChI: | InChI=1S/C26H30F3N7O3/c27-26(28,29)12-5-13-31-25(39)35-15-11-23(37)36-21(10-4-14-32-33-30)24(38)34(17-22(35)36)16-19-8-3-7-18-6-1-2-9-20(18)19/h1-3,6-9,21-22H,4-5,10-17H2,(H,31,39)/t21-,22+/m0/s1 |
| InChIKey: | JEFJDQXONGAAEJ-FCHUYYIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cccc2CN3C[C@@H]4N(CCC(=O)N4[C@H](C3=O)CCCN=[N+]=[N-])C(=O)NCCCC(F)(F)F | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)cccc2CN3CC4N(CCC(=O)N4C(C3=O)CCCN=[N+]=[N-])C(=O)NCCCC(F)(F)F | | CACTVS 3.385 | FC(F)(F)CCCNC(=O)N1CCC(=O)N2[C@@H]1CN(Cc3cccc4ccccc34)C(=O)[C@@H]2CCCN=[N+]=[N-] | | CACTVS 3.385 | FC(F)(F)CCCNC(=O)N1CCC(=O)N2[CH]1CN(Cc3cccc4ccccc34)C(=O)[CH]2CCCN=[N+]=[N-] |
|
| Name: | (6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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