| PDB CCD ID: | RYI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 N4 O2 S |
| InChI: | InChI=1S/C14H18N4O2S/c19-21(20)7-4-14(9-21)3-1-6-18(8-14)13-11-2-5-15-12(11)16-10-17-13/h2,5,10H,1,3-4,6-9H2,(H,15,16,17)/t14-/m1/s1 |
| InChIKey: | CIGPPCNTUJESTR-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=[S]1(=O)CC[C@@]2(CCCN(C2)c3ncnc4[nH]ccc34)C1 | | OpenEye OEToolkits 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CCS(=O)(=O)C4 | | ACDLabs 12.01 | O=S1(=O)CCC2(CCCN(C2)c2ncnc3[NH]ccc32)C1 | | CACTVS 3.385 | O=[S]1(=O)CC[C]2(CCCN(C2)c3ncnc4[nH]ccc34)C1 | | OpenEye OEToolkits 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCC[C@]4(C3)CCS(=O)(=O)C4 |
|
| Name: | (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione |
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