89T
Summary
| Name: | N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine |
| Formula: | C17 H24 N8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 420.489 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[3-(dimethylsulfamoylamino)-6-[[(2~{S})-1-methoxypropan-2-yl]amino]pyridin-2-yl]amino]-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H24N8O3S/c1-11(10-28-4)18-16-8-7-14(23-29(26,27)25(2)3)17(20-16)19-12-5-6-13-15(9-12)22-24-21-13/h5-9,11,23H,10H2,1-4H3,(H2,18,19,20)(H,21,22,24)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YQVOHKBYIBRJBY-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H](C)Nc1ccc(N[S](=O)(=O)N(C)C)c(Nc2ccc3nn[nH]c3c2)n1 |
| SMILES | CACTVS | 3.385 | COC[CH](C)Nc1ccc(N[S](=O)(=O)N(C)C)c(Nc2ccc3nn[nH]c3c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](COC)Nc1ccc(c(n1)Nc2ccc3c(c2)[nH]nn3)NS(=O)(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COC)Nc1ccc(c(n1)Nc2ccc3c(c2)[nH]nn3)NS(=O)(=O)N(C)C |
