SK7
Summary
| Name: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| Formula: | C10 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 226.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 6-[2-(hydroxymethyl)-3-oxidanyl-prop-1-enyl]-1,5-dimethyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(\C=C(/CO)CO)N(C(=O)N1)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16) |
| InChIKey | InChI | 1.03 | BIORUVJYBNBNNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1C=C(CO)CO)C |
| SMILES | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1C=C(CO)CO)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO |
