A1LXN
Summary
| Name: | 2-azanyl-8-methyl-1,9-dihydropurin-6-one |
| Formula: | C6 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 165.153 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-8-methyl-1,9-dihydropurin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12) |
| InChIKey | InChI | 1.06 | DJGMEMUXTWZGIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2N=C(N)NC(=O)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2N=C(N)NC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)C(=O)NC(=N2)N |
