DQ3
Summary
| Name: | 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine |
| Formula: | C19 H19 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 354.833 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24) |
| InChIKey | InChI | 1.03 | XMRJZVVWOPBOKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl |
