| PDB CCD ID: | UE8 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C10 H12 N4 O2 S |
| InChI: | InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 |
| InChIKey: | RSPDBEVKURKEII-ZCFIWIBFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13 | | CACTVS 3.385 | O=C1NC(=S)N(C[C@H]2CCCO2)c3[nH]cnc13 | | OpenEye OEToolkits 2.0.7 | c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3 | | OpenEye OEToolkits 2.0.7 | c1[nH]c2c(n1)C(=O)NC(=S)N2CC3CCCO3 |
|
| Name: | 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one;
3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
| ChEMBL: | CHEMBL4278946 |
| ZINC: | ZINC000038437163 |
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