22A
Summary
| Name: | 7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Formula: | C10 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-{[(1,3-dihydroxypropan-2-yl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.7.0 | 7-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(N=CN1)c(cn2)CNC(CO)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | OCC(CO)NCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.370 | OCC(CO)NCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17) |
| InChIKey | InChI | 1.03 | YGATXRRSBPFSBK-UHFFFAOYSA-N |
