KZM
Summary
| Name: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide |
| Formula: | C26 H30 N8 O4 |
| Formal charge: | 0 |
| Formula weight: | 518.568 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-[[(1R,2S)-2-azanylcyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)-[1,2,4]triazolo[5,1-f]pyrimidine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n4nc(nc4c2C(N)=O)c5cccc(O)c5)cc(OC)c1 |
| SMILES | CACTVS | 3.352 | COc1cc(Nc2nc(N[CH]3CCCC[CH]3N)n4nc(nc4c2C(N)=O)c5cccc(O)c5)cc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)NC4CCCCC4N)c5cccc(c5)O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C26H30N8O4/c1-37-17-11-15(12-18(13-17)38-2)29-24-21(22(28)36)25-31-23(14-6-5-7-16(35)10-14)33-34(25)26(32-24)30-20-9-4-3-8-19(20)27/h5-7,10-13,19-20,29,35H,3-4,8-9,27H2,1-2H3,(H2,28,36)(H,30,32)/t19-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | JQVIBYQWWUOARA-VQTJNVASSA-N |
