P0W
Summary
| Name: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| Formula: | C16 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 311.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23) |
| InChIKey | InChI | 1.03 | QEPPSXRODAKRSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 |
