GVI
Summary
| Name: | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE |
| Formula: | C13 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 239.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.5.0 | N-methyl-1-[4-(9H-purin-6-yl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2ncnc2nc1)c3ccc(cc3)CNC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCc1ccc(cc1)c2ncnc3[nH]cnc23 |
| SMILES | CACTVS | 3.341 | CNCc1ccc(cc1)c2ncnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | VRGSDHJXBVCQEL-UHFFFAOYSA-N |
