7DG
7-DEAZAGUANINE
Created: | 2001-05-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 7-DEAZAGUANINE |
Systematic Name (OpenEye OEToolkits) | 2-amino-3,5-dihydropyrrolo[3,2-e]pyrimidin-4-one |
Formula | C6 H6 N4 O |
Molecular Weight | 150.138 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C1=C(N=CC1)N=C(N2)N |
SMILES | CACTVS | 3.341 | NC1=NC2=C(CC=N2)C(=O)N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C=NC2=C1C(=O)NC(=N2)N |
Canonical SMILES | CACTVS | 3.341 | NC1=NC2=C(CC=N2)C(=O)N1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1C=NC2=C1C(=O)NC(=N2)N |
InChI | InChI | 1.03 | InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11) |
InChIKey | InChI | 1.03 | LOSIULRWFAEMFL-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB02245 |
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Name | 7-Deazaguanine |
Groups | experimental |
Synonyms | 7-Deazaguanine |
Categories |
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CAS number | 7355-55-7 |
Related Resource References
Resource Name | Reference |
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PubChem | 135497479, 4470573, 5287552 |
ChEMBL | CHEMBL219544 |
CCDC/CSD | WUGCEI, NULCII |