I2Z
Summary
| Name: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione |
| Formula: | C12 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | ROGMXQYZAWKCLY-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H]1[C@@H](N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H]1C(N(C(=O)NC1=O)Cc2ccccc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC1C(N(C(=O)NC1=O)Cc2ccccc2)N |
