Summary
| Name: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN |
| Formula: | C7 H9 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 195.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=NC=2NCC(=NC1=2)CO)N |
| InChI | InChI | 1.02b | InChI=1/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)/f/h9,12H,8H2 |
| InChIKey | InChI | 1.02b | CQQNNQTXUGLUEV-AAQHSVFUCM |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC2=C(N=C(CO)CN2)C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=NC2=C(N=C(CO)CN2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C(=NC2=C(N1)N=C(NC2=O)N)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(=NC2=C(N1)N=C(NC2=O)N)CO |
