5NT
Summary
| Name: | 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
| Formula: | C11 H15 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 265.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O3/c12-11-15-8-5(2-13-9(8)10(19)16-11)7-6(18)1-4(3-17)14-7/h2,4,6-7,13-14,17-18H,1,3H2,(H3,12,15,16,19)/t4-,6+,7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZIWDWRULEXWPGT-JHYUDYDFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)C[C@H]3O |
| SMILES | CACTVS | 3.385 | NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)C[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(CC(N3)CO)O |
