A1ET7
Summary
| Name: | ~{N}-(2-chloranyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl)-~{N},1-dimethyl-indazol-5-amine |
| Formula: | C16 H16 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 313.785 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-chloranyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl)-~{N},1-dimethyl-indazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16ClN5/c1-21(11-6-7-14-10(8-11)9-18-22(14)2)15-12-4-3-5-13(12)19-16(17)20-15/h6-9H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.06 | CDYNUIDYJVXJHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCCc34 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCC4 |
