M1Z
Summary
Name: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione |
Formula: | C8 H11 N3 O2 |
Formal charge: | 0 |
Formula weight: | 181.192 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13) |
InChIKey | InChI | 1.03 | VVOJYMDKNPHWLV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC(=NC(=O)N1)N2CCCC2 |
SMILES | CACTVS | 3.385 | O=C1CC(=NC(=O)N1)N2CCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)C2=NC(=O)NC(=O)C2 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)C2=NC(=O)NC(=O)C2 |