8XE
Summary
| Name: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one |
| Formula: | C18 H21 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 367.405 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]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/C18H21N7O2/c1-24-16(4-7-20-24)23-18-19-6-3-14(22-18)15-11-12-13(21-15)5-8-25(17(12)26)9-10-27-2/h3-4,6-7,11,21H,5,8-10H2,1-2H3,(H,19,22,23) |
| InChIKey | InChI | 1.03 | HKLUILZKCLFHGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3 |
| SMILES | CACTVS | 3.385 | COCCN1CCc2[nH]c(cc2C1=O)c3ccnc(Nc4ccnn4C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC |
