9DA
Summary
| Name: | 9-DEAZAADENINE |
| Formula: | C6 H6 N4 |
| Formal charge: | 0 |
| Formula weight: | 134.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.5.0 | 5H-pyrrolo[2,3-e]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)ccn2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2cc[nH]c12 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2cc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1ncnc2N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1ncnc2N |
| InChI | InChI | 1.03 | InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10) |
| InChIKey | InChI | 1.03 | YRVFQPBPZCRUDX-UHFFFAOYSA-N |
