QIJ
Summary
| Name: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione |
| Formula: | C7 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 193.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-8-methylpteridine-2,7(1H,8H)-dione |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-8-methyl-1~{H}-pteridine-2,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC2=C(N=CC(=O)N2C)C(N)=N1 |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14) |
| InChIKey | InChI | 1.03 | IIYMXMJOUCDTSZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=NC2=C1NC(=O)N=C2N |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=NC2=C1NC(=O)N=C2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C=NC2=C1NC(=O)N=C2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C=NC2=C1NC(=O)N=C2N |
