2IG
Summary
| Name: | 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE |
| Formula: | C22 H25 N5 O |
| Formal charge: | 0 |
| Formula weight: | 375.467 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-ethyl-5-[9-(3-methoxypropyl)carbazol-2-yl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c(c(nc1N)N)c4ccc3c2ccccc2n(c3c4)CCCOC)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3c(c2)n(CCCOC)c4ccccc34 |
| SMILES | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3c(c2)n(CCCOC)c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC |
| InChI | InChI | 1.03 | InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26) |
| InChIKey | InChI | 1.03 | MLSVRCGEBXIIQO-UHFFFAOYSA-N |
