MY6
Summary
| Name: | 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one |
| Formula: | C6 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 165.153 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.7.0 | 2-azanyl-7-methyl-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(N=C(N1)N)ncn2C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1cnc2N=C(N)NC(=O)c12 |
| SMILES | CACTVS | 3.370 | Cn1cnc2N=C(N)NC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1cnc2c1C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cn1cnc2c1C(=O)NC(=N2)N |
| InChI | InChI | 1.03 | InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) |
| InChIKey | InChI | 1.03 | FZWGECJQACGGTI-UHFFFAOYSA-N |
