SWB
Summary
| Name: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O/c1-7-3-16-13-9(7)2-8(4-17-13)10-5-15-12-11(10)6-18-14(12)19/h2-5,15H,6H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | WKBTUQDWSZYQRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34 |
| SMILES | CACTVS | 3.385 | Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O |
