A1A8J
Summary
| Name: | 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-2-ol |
| Formula: | C19 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 320.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(2~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,3-dihydroinden-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1(Cc2ccccc2C1)C1CCCN1c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C19H20N4O/c24-19(10-13-4-1-2-5-14(13)11-19)16-6-3-9-23(16)18-15-7-8-20-17(15)21-12-22-18/h1-2,4-5,7-8,12,16,24H,3,6,9-11H2,(H,20,21,22)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | MWZDBDHLXQKPPA-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1(Cc2ccccc2C1)[C@H]3CCCN3c4ncnc5[nH]ccc45 |
| SMILES | CACTVS | 3.385 | OC1(Cc2ccccc2C1)[CH]3CCCN3c4ncnc5[nH]ccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC(C2)([C@H]3CCCN3c4c5cc[nH]c5ncn4)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC(C2)(C3CCCN3c4c5cc[nH]c5ncn4)O |
