W5S
Summary
| Name: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C13 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 242.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3 |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | JOCMWXDUQHVTDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(Cc2occc2)c3ncnc(N)c3c1C |
| SMILES | CACTVS | 3.385 | Cc1n(Cc2occc2)c3ncnc(N)c3c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C |
