UYN
Summary
| Name: | [[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium |
| Synonyms: | BEV241 |
| Formula: | C12 H21 N9 |
| Formal charge: | 2 |
| Formula weight: | 291.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+ |
| InChIKey | InChI | 1.03 | OJEQEZWXYYTFQK-JRGWAENISA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=N\NC(N)=[NH2+])/c1cc(N)cc(c1)\C(C)=N\NC(N)=[NH2+] |
| SMILES | CACTVS | 3.385 | CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NNC(=[NH2+])N)c1cc(cc(c1)N)C(=NNC(=[NH2+])N)C |
