OJ5
Summary
| Name: | 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
| Formula: | C16 H15 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 314.77 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) |
| InChIKey | InChI | 1.03 | ONFLVQULIQDDSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 |
