IUH
Summary
Name: | 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine |
Formula: | C12 H11 Cl N6 |
Formal charge: | 0 |
Formula weight: | 274.709 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C12H11ClN6/c1-14-10-9-11(18-12(13)17-10)19(7-16-9)6-8-2-4-15-5-3-8/h2-5,7H,6H2,1H3,(H,14,17,18) |
InChIKey | InChI | 1.06 | FMTDCAWHWSPRLD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12 |
SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccncc3 |