6DZ
Summary
| Name: | 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| Formula: | C15 H21 N9 O |
| Formal charge: | 0 |
| Formula weight: | 343.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| OpenEye OEToolkits | 2.0.4 | 2-(furan-2-yl)-~{N}5-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nn3c1nc(NCCN2CCN(C)CC2)nc3N)c4ccco4 |
| InChI | InChI | 1.03 | InChI=1S/C15H21N9O/c1-22-6-8-23(9-7-22)5-4-17-14-19-13(16)24-15(20-14)18-12(21-24)11-3-2-10-25-11/h2-3,10H,4-9H2,1H3,(H3,16,17,18,19,20,21) |
| InChIKey | InChI | 1.03 | NLHRMBTYEDTOKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1 |
| SMILES | CACTVS | 3.385 | CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N |
