KZL
Summary
| Name: | 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide |
| Formula: | C18 H24 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 400.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-[(1-azanyl-2-methyl-propan-2-yl)amino]-7-[(3,5-dimethoxyphenyl)amino]-[1,2,4]triazolo[3,4-f]pyrimidine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(Nc2nc(NC(C)(C)CN)n3cnnc3c2C(N)=O)cc(OC)c1 |
| SMILES | CACTVS | 3.352 | COc1cc(Nc2nc(NC(C)(C)CN)n3cnnc3c2C(N)=O)cc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H24N8O3/c1-18(2,8-19)24-17-23-15(13(14(20)27)16-25-21-9-26(16)17)22-10-5-11(28-3)7-12(6-10)29-4/h5-7,9,22H,8,19H2,1-4H3,(H2,20,27)(H,23,24) |
| InChIKey | InChI | 1.03 | AEEITZXNPLOKQJ-UHFFFAOYSA-N |
