QXC
Summary
| Name: | N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(pyridin-2-ylmethyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cnc(NCc2ccccn2)c2cc[NH]c12 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5/c1-2-5-13-9(3-1)7-15-12-10-4-6-14-11(10)16-8-17-12/h1-6,8H,7H2,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | DZWJUUHHWFVLBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Nc1ncnc2[nH]ccc12)c3ccccn3 |
| SMILES | CACTVS | 3.385 | C(Nc1ncnc2[nH]ccc12)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNc2c3cc[nH]c3ncn2 |
