EMW
Summary
| Name: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide |
| Formula: | C20 H26 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 410.473 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H26N8O2/c1-12-9-14(30-4)5-6-16(12)23-20(29)27-7-8-28(13(2)11-27)18-15-10-22-26(3)17(15)24-19(21)25-18/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,29)(H2,21,24,25)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | WRONAJQPZWDYAR-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c3nc(N)nc4n(C)ncc34)c(C)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN([CH](C)C2)c3nc(N)nc4n(C)ncc34)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1NC(=O)N2CCN(C(C2)C)c3c4cnn(c4nc(n3)N)C)OC |
