8QB
Summary
| Name: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
| Formula: | C16 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 313.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O2/c22-15-14-9-11(10-21(14)6-5-17-15)13-1-4-18-16(20-13)19-12-2-7-23-8-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,17,22)(H,18,19,20) |
| InChIKey | InChI | 1.03 | XDGNKNAACCOKKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCn2cc(cc12)c3ccnc(NC4CCOCC4)n3 |
| SMILES | CACTVS | 3.385 | O=C1NCCn2cc(cc12)c3ccnc(NC4CCOCC4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4 |
