6-Amino-2,8-dihydroxypurine; 3,9-Di-Me

AlkaPlorer ID: AK100022

Synonym: 6-Amino-3,9-dimethyl-1H-purine-2,8(3H)-dione, 3,9-Dimethyl-8-oxoisoguanine 

IUPAC Name: 6-amino-3,9-dimethyl-7H-purine-2,8-dione

Structure

SMILES: CN1C(=O)N=C(N)C2=C1N(C)C(=O)N2

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InChI: InChI=1S/C7H9N5O2/c1-11-5-3(9-6(11)13)4(8)10-7(14)12(5)2/h1-2H3,(H,9,13)(H2,8,10,14)

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InChIKey: PGIDADRKLVPTLG-UHFFFAOYSA-N

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Reference

PubChem CID: 46915372

COCONUT: CNP0134188

Properties Information

Molecule Weight: 195.182

TPSA: 98.7

MolLogP: -1.4575000000000002

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information