A1A19
Summary
| Name: | 7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C15 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 252.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | 5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1ncnc2c1c(C)c(C)n2Cc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18) |
| InChIKey | InChI | 1.06 | WVJFFHQKDQYWCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(Cc2ccccc2)c3ncnc(N)c3c1C |
| SMILES | CACTVS | 3.385 | Cc1n(Cc2ccccc2)c3ncnc(N)c3c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(n(c2c1c(ncn2)N)Cc3ccccc3)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(n(c2c1c(ncn2)N)Cc3ccccc3)C |
