8XH
Summary
| Name: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
| Formula: | C19 H25 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 371.434 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H25N5O3/c1-26-11-8-24-7-3-15-14(18(24)25)12-17(22-15)16-2-6-20-19(23-16)21-13-4-9-27-10-5-13/h2,6,12-13,22H,3-5,7-11H2,1H3,(H,20,21,23) |
| InChIKey | InChI | 1.03 | LYRLKFUHEVBCHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(NC4CCOCC4)n3 |
| SMILES | CACTVS | 3.385 | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(NC4CCOCC4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O |
