680
Summary
| Name: | 6-METHYLAMINO-5-NITROISOCYTOSINE |
| Formula: | C5 H7 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 185.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-(methylamino)-5-nitropyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-methylamino-5-nitro-3H-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C([N+]([O-])=O)=C(N=C(N)N1)NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC1=C(C(=O)NC(=N1)N)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CNC1=C(C(=O)NC(=N1)N)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11) |
| InChIKey | InChI | 1.03 | NMCMUSAXKISTKW-UHFFFAOYSA-N |
