I5Z
Summary
Name: | 6-cyclopropyl-1H-pyrimidine-2,4-dione |
Formula: | C7 H8 N2 O2 |
Formal charge: | 0 |
Formula weight: | 152.151 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 6-cyclopropyl-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11) |
InChIKey | InChI | 1.06 | ABHXYFPEQCXJJJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C=C(N1)C2CC2 |
SMILES | CACTVS | 3.385 | O=C1NC(=O)C=C(N1)C2CC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC1C2=CC(=O)NC(=O)N2 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CC1C2=CC(=O)NC(=O)N2 |