M4Q
Summary
| Name: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
| Formula: | C11 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 251.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16) |
| InChIKey | InChI | 1.03 | MSXKBXFEBNYDJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 |
| SMILES | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 |
