AC1MHXQM

1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Also Known As: Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-|6-Thio-8-(beta-N-piperidylethyl)thiotheophylline|Uric acid, 1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio-|Theophylline, 8-[(2-piperidinoethyl)thio]-6-thio-|8-[(2-Piperidinoethyl)thio]-6-thiotheophylline|Theophylline,8-(2-(piperidinoethyl)thio)-6-thio|6-Thio-8-(.beta.-N-piperidylethyl)thiotheophylline|THEOPHYLLINE, 8-((2-PIPERIDINOETHYL)THIO)-6-THIO-|Theophylline, 8-[2-(piperidinoethyl)thio]-6-thio-|1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-(1-piperidinyl)ethyl)thio)-6-thioxo-2H-purin-2-one|Uric acid,3-dimethyl-8-[2-(piperidinoethyl)thio]-6-thio-|1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylide|1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one|2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PIPERIDINYL)ETHYL)THIO)-6-THIOXO-|6,7-Dihydro-1,3-dimethyl-8-[(2-piperidinoethyl)thio]-6-thioxo-1H-purin-2(3H)-one|8-[(2-Piperidinoethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one|1,3-Dimethyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one|1,3-dimethyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one

Molecular Formula	C14H21N5OS2
Molecular Weight	339.11874 g/mol
LogP	1.90759
Topological Polar Surface Area	58.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	339.11874
Monoisotopic Mass	339.11874
Heavy Atoms	22
Complexity	784.8527

Chemical Identifiers

CAS Number	6493-46-5
SMILES	CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCCC3