QF2
Summary
| Name: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| Formula: | C17 H19 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 345.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O5/c1-23-13-4-10(5-14-16(13)25-9-24-14)7-20(12-2-3-12)8-11-6-15(21)19-17(22)18-11/h4-6,12H,2-3,7-9H2,1H3,(H2,18,19,21,22) |
| InChIKey | InChI | 1.03 | PUMQGUSCXBWFJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14 |
| SMILES | CACTVS | 3.385 | COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4 |
