X0Y
Summary
| Name: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Formula: | C8 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 179.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| OpenEye OEToolkits | 2.0.7 | 1,3-dimethyl-6~{H}-pyrrolo[3,4-d]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(N(C(=O)N(c2c1cnc2)C)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3 |
| InChIKey | InChI | 1.03 | MNPOFAXKBZPGNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2c[nH]cc2C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2c[nH]cc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c[nH]cc2C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c[nH]cc2C(=O)N(C1=O)C |
