XB2
Summary
| Name: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione |
| Formula: | C15 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 273.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | RLCLASQCAPXVLM-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1C(=O)NC(=CC1=O)N[C@@H](C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)N1C(=O)NC(=CC1=O)N[CH](C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC2=CC(=O)N(C(=O)N2)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1C(=O)C=C(NC1=O)NC(C)c2ccccc2 |
