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- ChemComp-DDP: 2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DDP
NameName: 2,4-diamino-4,6-dihydroxypyrimidine

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Chemical information

Composition
Formula: C4H6N4O2 / Number of atoms: 16 / Formula weight: 142.116 / Formal charge: 0
Others

1il5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DDP / Model coordinates PDB-ID: 1IL5
History
Create componentMay 8, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04Oc1nc(nc(O)c1N)N
CACTVS 3.341Nc1nc(O)c(N)c(O)n1
OpenEye OEToolkits 1.5.0c1(c(nc(nc1O)N)O)N

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SMILES CANONICAL

CACTVS 3.341Nc1nc(O)c(N)c(O)n1
OpenEye OEToolkits 1.5.0c1(c(nc(nc1O)N)O)N

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InChI

InChI 1.03InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)

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InChIKey

InChI 1.03HWSJQFCTYLBBOF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,5-diaminopyrimidine-4,6-diol
OpenEye OEToolkits 1.5.02,5-diaminopyrimidine-4,6-diol

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PDB entries

Showing all 1 items

PDB-1il5:
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 2,5-DIAMINO-4,6-DIHYDROXYPYRIMIDINE (DDP)

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