UE8
Summary
| Name: | 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one |
| Synonyms: | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
| Formula: | C10 H12 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 252.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | RSPDBEVKURKEII-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=S)N(C[C@H]2CCCO2)c3[nH]cnc13 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)C(=O)NC(=S)N2CC3CCCO3 |
