R9F
Summary
| Name: | 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine |
| Formula: | C10 H7 F N4 |
| Formal charge: | 0 |
| Formula weight: | 202.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-9~{H}-pyrimido[4,5-b]indol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)[NH]c1ncnc(N)c21 |
| InChI | InChI | 1.06 | InChI=1S/C10H7FN4/c11-5-1-2-6-7(3-5)15-10-8(6)9(12)13-4-14-10/h1-4H,(H3,12,13,14,15) |
| InChIKey | InChI | 1.06 | LFMLBPCSGKLSSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2[nH]c3cc(F)ccc3c12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2[nH]c3cc(F)ccc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N |
