A1D72
Summary
| Name: | 5-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-~{N}-(3-morpholin-4-ylpropyl)-1~{H}-indole-2-carboxamide |
| Formula: | C25 H30 N8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 506.623 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-~{N}-(3-morpholin-4-ylpropyl)-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H30N8O2S/c1-16-22(36-25(26-2)29-16)20-6-8-28-24(32-20)30-18-4-5-19-17(14-18)15-21(31-19)23(34)27-7-3-9-33-10-12-35-13-11-33/h4-6,8,14-15,31H,3,7,9-13H2,1-2H3,(H,26,29)(H,27,34)(H,28,30,32) |
| InChIKey | InChI | 1.06 | OTGQZMLMXDRMMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1sc(c(C)n1)c2ccnc(Nc3ccc4[nH]c(cc4c3)C(=O)NCCCN5CCOCC5)n2 |
| SMILES | CACTVS | 3.385 | CNc1sc(c(C)n1)c2ccnc(Nc3ccc4[nH]c(cc4c3)C(=O)NCCCN5CCOCC5)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc4c(c3)cc([nH]4)C(=O)NCCCN5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc4c(c3)cc([nH]4)C(=O)NCCCN5CCOCC5 |
