6LO
Summary
| Name: | N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide |
| Formula: | C26 H27 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 441.525 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[3-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(c(N)ncn1)c(cn2C3CC(C3)CNC(=O)C)c4cccc(c4)OCc5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30) |
| InChIKey | InChI | 1.03 | BUCAFRXFNHCHRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC1CC(C1)n2cc(c3cccc(OCc4ccccc4)c3)c5c(N)ncnc25 |
| SMILES | CACTVS | 3.385 | CC(=O)NCC1CC(C1)n2cc(c3cccc(OCc4ccccc4)c3)c5c(N)ncnc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5 |
