44W
Summary
| Name: | 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one |
| Formula: | C7 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 179.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-6-methyl-7,8-dihydro-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=2N=C(CNC=2N=C(N)N1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13) |
| InChIKey | InChI | 1.03 | ZGSZMKMOKGLFHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES | CACTVS | 3.385 | CC1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=NC2=C(NC1)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=NC2=C(NC1)N=C(NC2=O)N |
