CAS 1784-70-9 | 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3-dimethyl-8-thioxo- | CAS Number 1784-70-9

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1784-70-9 | 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3-dimethyl-8-thioxo-

CAS No: 1784-70-9 Catalog No: AG002609 MDL No:MFCD16879000

Product Description

Catalog Number:

AG002609

Chemical Name:

1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3-dimethyl-8-thioxo-

CAS Number:

1784-70-9

Molecular Formula:

C7H8N4O2S

Molecular Weight:

212.2290

MDL Number:

MFCD16879000

IUPAC Name:

1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

InChI:

InChI=1S/C7H8N4O2S/c1-10-4-3(8-6(14)9-4)5(12)11(2)7(10)13/h1-2H3,(H2,8,9,14)

InChI Key:

NBQIXPZKEFZVMP-UHFFFAOYSA-N

SMILES:

S=c1[nH]c2c([nH]1)c(=O)n(c(=O)n2C)C

Properties

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.227g/mol

Monoisotopic Mass:

212.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Water-soluble Cp ruthenium complex containing 1,3,5-triaza-7-phosphaadamantane and 8-thiotheophylline derivatives: synthesis, characterization, and antiproliferative activity.	Inorganic chemistry 20110207
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Biogenic amines modulate pulse rate in the dorsal blood vessel of Lumbriculus variegatus.	Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20100501
Synthesis, Spectroscopic, and Anticancerous Properties of Mixed Ligand Palladium(II) and Silver(I) Complexes with 4,6-Diamino-5-hydroxy-2-mercaptopyrimidine and 2,2'-Bipyridyl.	Metal-based drugs 20080101
Phosphinic platinum complexes with 8-thiotheophylline derivatives: synthesis, characterization, and antiproliferative activity.	Inorganic chemistry 20070514
Biologically active platinum complexes containing 8-thiotheophylline and 8-(methylthio)theophylline.	Inorganic chemistry 20040209