EZU
Summary
| Name: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| Formula: | C18 H24 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 372.422 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-cyclopentyl-6-[[(2~{R})-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H24N6O3/c1-11(16(26)23-7-18(8-23)9-27-10-18)20-17-21-14-13(15(25)22-17)6-19-24(14)12-4-2-3-5-12/h6,11-12H,2-5,7-10H2,1H3,(H2,20,21,22,25)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | KCKFQVCSNMDMEM-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(COC5)C4 |
| SMILES | CACTVS | 3.385 | C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(COC5)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3 |
