3FW
Summary
| Name: | 1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine |
| Formula: | C6 H8 N4 |
| Formal charge: | 0 |
| Formula weight: | 136.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine |
| OpenEye OEToolkits | 1.7.6 | [2-(iminomethyl)pyrimidin-4-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N@H]=Cc1nc(ccn1)CN |
| InChI | InChI | 1.03 | InChI=1S/C6H8N4/c7-3-5-1-2-9-6(4-8)10-5/h1-2,4,8H,3,7H2/b8-4- |
| InChIKey | InChI | 1.03 | ZZXLXCRSFIBRMR-YWEYNIOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccnc(C=N)n1 |
| SMILES | CACTVS | 3.385 | NCc1ccnc(C=N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C\c1nccc(n1)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnc(nc1CN)C=N |
