0B3
Summary
| Name: | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one |
| Formula: | C14 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 245.32 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | (6R)-2-azanyl-3,6-dimethyl-6-(2-phenylethyl)-5H-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N(C(=NC(CCc1ccccc1)(C2)C)N)C |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | NHJCZSSEYRWDOJ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)C[C@@](C)(CCc2ccccc2)N=C1N |
| SMILES | CACTVS | 3.370 | CN1C(=O)C[C](C)(CCc2ccccc2)N=C1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CC(=O)N(C(=N1)N)C)CCc2ccccc2 |
