F67
Summary
| Name: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one |
| Formula: | C13 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 240.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-methyl-5-(pyrimidin-4-ylamino)-2,3-dihydroisoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(C(N1)C)cc(cc2)Nc3ccncn3 |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | OWEDOBFUVPKBNA-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NC(=O)c2ccc(Nc3ccncn3)cc12 |
| SMILES | CACTVS | 3.385 | C[CH]1NC(=O)c2ccc(Nc3ccncn3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1c2cc(ccc2C(=O)N1)Nc3ccncn3 |
