FMC
Summary
| Name: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol |
| Formula: | C10 H13 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 267.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol |
| OpenEye OEToolkits | 1.7.0 | (2S,3R,4S,5R)-2-(7-azanyl-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(CO)C1O)c3nnc2c3ncnc2N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | KBHMEHLJSZMEMI-KSYZLYKTSA-N |
