Z64
Summary
| Name: | N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine |
| Formula: | C18 H21 N7 O |
| Formal charge: | 0 |
| Formula weight: | 351.406 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | N-[4-[3-(furan-2-yl)-5-methyl-2H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c(c(n1)c2occc2)CCCCN(c4ncnc3ncnc34)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCc1c(C)n[nH]c1c2occc2)c3ncnc4nc[nH]c34 |
| SMILES | CACTVS | 3.341 | CN(CCCCc1c(C)n[nH]c1c2occc2)c3ncnc4nc[nH]c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N7O/c1-12-13(15(24-23-12)14-7-5-9-26-14)6-3-4-8-25(2)18-16-17(20-10-19-16)21-11-22-18/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,24)(H,19,20,21,22) |
| InChIKey | InChI | 1.03 | PBUASXAIYKZEKU-UHFFFAOYSA-N |
