CHEMBL201706

(2S,3S,4R,5R)-5-[2-chloro-6-(methylamino)purin-9-yl]-3,4-dihydroxy-N-methylthiolane-2-carboxamide

Also Known As: 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide|(2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide|(2S,3S,4R,5R)-5-(2-chloro-6-methylamino-purin-9-yl)-3,4-dihydroxy-N-methyl-thiolane-2-carboxamide|(2S,3S,4R,5R)-5-(2-chloro-6-methylaminopurin-9-yl}3,4-dihydroxytetrahydrothiophene-2-carboxylic acid methyl amide|1-[2-Chloro-6-(methylamino)-9H-purin-9-yl]-1-deoxy-N-methyl-4-thio-|A-D-ribofuranuronamide

Molecular Formula	C12H15ClN6O3S
Molecular Weight	358.0615 g/mol
LogP	-0.3968
Topological Polar Surface Area	125.19 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	358.0615
Monoisotopic Mass	358.0615
Heavy Atoms	23
Complexity	755.71643

Chemical Identifiers

CAS Number	596103-02-5
SMILES	CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](S3)C(=O)NC)O)O