RRC
Summary
| Name: | R-ROSCOVITINE |
| Formula: | C19 H26 N6 O |
| Formal charge: | 0 |
| Formula weight: | 354.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[6-(phenylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 |
| SMILES | CACTVS | 3.341 | CC[CH](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
