7VJ
Summary
| Name: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one |
| Synonyms: | 6-METHYLAMINO-5-NITROSOISOCYTOSINE |
| Formula: | C5 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 169.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-4-(methylamino)-5-nitroso-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(=O)C1=C(N=C(N)NC1=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11) |
| InChIKey | InChI | 1.03 | ISOZZGJCVBHMSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC1=C(N=O)C(=O)NC(=N1)N |
| SMILES | CACTVS | 3.385 | CNC1=C(N=O)C(=O)NC(=N1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC1=C(C(=O)NC(=N1)N)N=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC1=C(C(=O)NC(=N1)N)N=O |
