HXV
Summary
| Name: | 6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine |
| Formula: | C19 H26 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 398.462 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.7 | 6-ethyl-5-[4-[2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethyl]phenoxy]butoxy]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCc1nc(N)nc(N)c1OCCCCOc1ccccc1CCc1nnn[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C19H26N8O2/c1-2-14-17(18(20)23-19(21)22-14)29-12-6-5-11-28-15-8-4-3-7-13(15)9-10-16-24-26-27-25-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H4,20,21,22,23)(H,24,25,26,27) |
| InChIKey | InChI | 1.03 | OUJSJGDTRMGLDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCCOc2ccccc2CCc3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | CCc1nc(N)nc(N)c1OCCCCOc2ccccc2CCc3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3 |
