1,6,7,9-Tetrahydro-6-imino-1,9-dimethyl-8H-purin-8-one 

AlkaPlorer ID: AK104694

Synonym: 1,9-Dimethyl-6-imino-8-oxopurine

IUPAC Name: 6-imino-1,9-dimethyl-7H-purin-8-one

Structure

SMILES: CN1C=NC2=C(NC(=O)N2C)C1=N

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InChI: InChI=1S/C7H9N5O/c1-11-3-9-6-4(5(11)8)10-7(13)12(6)2/h3,8H,1-2H3,(H,10,13)

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InChIKey: JDXRLMZGVHMKHS-UHFFFAOYSA-N

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Reference

PubChem CID: 180731

CAS: 98601-03-7

COCONUT: CNP0169768

Properties Information

Molecule Weight: 179.183

TPSA: 79.46000000000001

MolLogP: -0.92043

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information