VQE
Summary
| Name: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine |
| Formula: | C16 H25 N5 |
| Formal charge: | 0 |
| Formula weight: | 287.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3 |
| InChIKey | InChI | 1.06 | VYKCLMALANGCDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n3nccc3n1 |
| SMILES | CACTVS | 3.385 | CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)c1cc(n2c(n1)ccn2)NC3CCC(C3)N |
