7-[(z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione (CHEM307555)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 07:58:13 UTC | ||||||||
| Update Date | 2026-08-29 07:58:13 UTC | ||||||||
| Accession Number | CHEM307555 | ||||||||
| Identification | |||||||||
| Common Name | 7-[(z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[(z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione is a chemical compound with the formula C18H18ClN7O4. It has an average molecular weight of 431.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H18ClN7O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 431.111 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[(z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)Cl | ||||||||
| InChI Identifier | InChI=1S/C18H18ClN7O4/c1-11(19)8-9-25-14-15(23(2)18(28)24(3)16(14)27)21-17(25)22-20-10-12-4-6-13(7-5-12)26(29)30/h4-8,10H,9H2,1-3H3,(H,21,22)/b11-8-,20-10+ | ||||||||
| InChI Key | DEMNSCLTSPKAQX-ZKRKXYIJSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
