7WP
Summary
| Name: | 2,4-diaminopteridine-6-carbaldehyde |
| Formula: | C7 H6 N6 O |
| Formal charge: | 0 |
| Formula weight: | 190.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-diaminopteridine-6-carbaldehyde |
| OpenEye OEToolkits | 2.0.6 | 2,4-bis(azanyl)pteridine-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12nc(C=O)cnc1nc(N)nc2N |
| InChI | InChI | 1.03 | InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13) |
| InChIKey | InChI | 1.03 | QBSIXCBKOMWSBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2nc(C=O)cnc2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2nc(C=O)cnc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc2c(nc(nc2n1)N)N)C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc2c(nc(nc2n1)N)N)C=O |
