FM1
Summary
| Name: | 2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL |
| Synonyms: | N7-METHYL-FORMYCIN A |
| Formula: | C11 H15 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1,4-anhydro-1-[7-(methylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-ribitol |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(7-methylamino-1H-pyrazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | CNc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1c2c(c(n[nH]2)C3C(C(C(O3)CO)O)O)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | JRRNRCMIBCSOIH-LFAOKBQASA-N |
