XHP
Summary
| Name: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one |
| Formula: | C7 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 177.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.7.2 | 2-azanyl-6-methylidene-3,7-dihydropteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C2=N\C(=C)CN=C2N=C(N)N1 |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h1-2H2,(H3,8,9,11,12,13) |
| InChIKey | InChI | 1.03 | CHIXTMVYEYYHIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC2=NCC(=C)N=C2C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=NC2=NCC(=C)N=C2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=C1CN=C2C(=N1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C=C1CN=C2C(=N1)C(=O)NC(=N2)N |
