BDQ
Summary
| Name: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea |
| Formula: | C24 H28 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 432.518 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 1-(4-cyanophenyl)-3-[[4-[[(4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxo-imidazolidin-1-yl]methyl]phenyl]methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)C[C@@]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O |
| SMILES | CACTVS | 3.352 | CC(C)C[C]1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC1(C(=O)N(C(=N)N1)Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)C |
| InChI | InChI | 1.03 | InChI=1S/C24H28N6O2/c1-16(2)12-24(3)21(31)30(22(26)29-24)15-19-6-4-18(5-7-19)14-27-23(32)28-20-10-8-17(13-25)9-11-20/h4-11,16H,12,14-15H2,1-3H3,(H2,26,29)(H2,27,28,32)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | CTKHUQYUPSHMQE-XMMPIXPASA-N |
