DIH
Summary
| Name: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
| Formula: | C12 H17 N4 O3 |
| Formal charge: | 1 |
| Formula weight: | 265.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-[[(3~{R},4~{R})-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | AFNHHLILYQEHKK-BDAKNGLRSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1C[NH+](C[C@@H]1O)Cc2c[nH]c3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.385 | OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3CC(C(C3)O)CO |
