PE0
Summary
| Name: | PTERINE |
| Formula: | C6 H5 N5 O |
| Formal charge: | 0 |
| Formula weight: | 163.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-aminopteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2nccnc2N=C(N1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2nccnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2nccnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc2c(n1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc2c(n1)C(=O)NC(=N2)N |
| InChI | InChI | 1.03 | InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12) |
| InChIKey | InChI | 1.03 | HNXQXTQTPAJEJL-UHFFFAOYSA-N |
