FMB
Summary
| Name: | FORMYCIN B |
| Formula: | C10 H12 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 268.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol |
| OpenEye OEToolkits | 1.5.0 | 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrazolo[5,4-e]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | MTCJZZBQNCXKAP-KSYZLYKTSA-N |
