BC3
Summary
| Name: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Synonyms: | peldesine,BCX-34 |
| Formula: | C12 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 241.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2c(Cc3cccnc3)c[nH]c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2c(Cc3cccnc3)c[nH]c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) |
| InChIKey | InChI | 1.03 | DOHVAKFYAHLCJP-UHFFFAOYSA-N |
