X1W
Summary
| Name: | N5-[(3S,4R)-4-phenylmethoxypyrrolidin-3-yl]-N7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
| Formula: | C27 H32 N6 O |
| Formal charge: | 0 |
| Formula weight: | 456.583 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}5-[(3~{S},4~{R})-4-phenylmethoxypyrrolidin-3-yl]-~{N}7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H32N6O/c1-19(2)22-15-30-33-26(29-14-20-9-5-3-6-10-20)13-25(32-27(22)33)31-23-16-28-17-24(23)34-18-21-11-7-4-8-12-21/h3-13,15,19,23-24,28-29H,14,16-18H2,1-2H3,(H,31,32)/t23-,24+/m0/s1 |
| InChIKey | InChI | 1.06 | OILLVYGGTARBHU-BJKOFHAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]4CNC[C@H]4OCc5ccccc5)nc12 |
| SMILES | CACTVS | 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4OCc5ccccc5)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@H]4CNC[C@H]4OCc5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CNCC4OCc5ccccc5 |
