TO1
Summary
| Name: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Synonyms: | TOYOCAMYCIN |
| Formula: | C12 H13 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 291.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| OpenEye OEToolkits | 1.7.2 | 4-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(cc(C#N)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n(cc(C#N)c12)[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C#N |
| InChI | InChI | 1.03 | InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | XOKJUSAYZUAMGJ-WOUKDFQISA-N |
