6GO
6-O-methylguanine
Created: | 2008-12-30 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 6-O-methylguanine |
Synonyms | 6-methoxy-7H-purin-2-amine |
Systematic Name (OpenEye OEToolkits) | 6-methoxy-7H-purin-2-amine |
Formula | C6 H7 N5 O |
Molecular Weight | 165.153 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(OC)c2c(nc1N)ncn2 |
SMILES | CACTVS | 3.341 | COc1nc(N)nc2nc[nH]c12 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1c2c(nc[nH]2)nc(n1)N |
Canonical SMILES | CACTVS | 3.341 | COc1nc(N)nc2nc[nH]c12 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | COc1c2c(nc[nH]2)nc(n1)N |
InChI | InChI | 1.03 | InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) |
InChIKey | InChI | 1.03 | BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 65275 |
ChEMBL | CHEMBL226395 |
ChEBI | CHEBI:20689 |