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N6M : Summary
Code
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N6M
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One-letter code
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X
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Molecule name
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N-METHYL-9H-PURIN-6-AMINE
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Synonyms
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N6-METHYL ADENINE
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Systematic names
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Formula
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C6 H7 N5
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Formal charge
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0
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Molecular weight
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149.153 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c1c(ncn1)c(nc2)NC |
SMILES
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CACTVS |
3.352 |
CNc1ncnc2[nH]cnc12 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
CNc1c2c([nH]cn2)ncn1 |
Canonical SMILES
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CACTVS |
3.352 |
CNc1ncnc2[nH]cnc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
CNc1c2c([nH]cn2)ncn1 |
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IUPAC InChI | InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) |
IUPAC InChI key | CKOMXBHMKXXTNW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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18 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2010-08-09
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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