| PDB CCD ID: | R8F |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H11 N5 O3 |
| InChI: | InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1 |
| InChIKey: | JDSDLPGCRCFXJZ-WDEREUQCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | c1[nH]c2c(n1)ncnc2N3C=C(C4CC3OC=C4C=O)C=O | | OpenEye OEToolkits 3.1.0.0 | c1[nH]c2c(n1)ncnc2N3C=C([C@@H]4C[C@H]3OC=C4C=O)C=O | | CACTVS 3.385 | O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O | | CACTVS 3.385 | O=CC1=CO[C@@H]2C[C@H]1C(=CN2c3ncnc4nc[nH]c34)C=O |
|
| Name: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde;
(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde |
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