AC1Q1PEM

8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Also Known As: BAS 00288329|8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione|(E)-8-((3-chlorobut-2-en-1-yl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-((3-CL-2-BUTENYL)THIO)-7-ISOPENTYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C15H21ClN4O2S
Molecular Weight	356.10736 g/mol
LogP	2.7041
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	356.10736
Monoisotopic Mass	356.10736
Heavy Atoms	23
Complexity	843.5045

Chemical Identifiers

CAS Number	313530-85-7
SMILES	CC(C)CCN1C2=C(N=C1SC/C=C(\C)/Cl)N(C(=O)NC2=O)C