HPT
Summary
| Name: | 6-HYDROXYPROPYLTHYMINE |
| Formula: | C8 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 184.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=C(C(=O)N1)C)CCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(CCCO)NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=C(CCCO)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(NC(=O)NC1=O)CCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(NC(=O)NC1=O)CCCO |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13) |
| InChIKey | InChI | 1.03 | OIEJBPVNLZZLGQ-UHFFFAOYSA-N |
