ZME
Summary
| Name: | 6-(3-methyl-1H-pyrrol-1-yl)-9H-purine |
| Formula: | C10 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 199.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(3-methyl-1H-pyrrol-1-yl)-9H-purine |
| OpenEye OEToolkits | 2.0.4 | 6-(3-methylpyrrol-1-yl)-9~{H}-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccn(c1)c2c3c(ncn2)ncn3 |
| InChI | InChI | 1.03 | InChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14) |
| InChIKey | InChI | 1.03 | BCVQNVIMHTYJMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccn(c1)c2ncnc3[nH]cnc23 |
| SMILES | CACTVS | 3.385 | Cc1ccn(c1)c2ncnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccn(c1)c2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccn(c1)c2c3c([nH]cn3)ncn2 |
