A3K
Summary
| Name: | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| Formula: | C15 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 248.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19) |
| InChIKey | InChI | 1.03 | KWTGXMXCSXFSJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N |
