AC1MJFSZ

8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Also Known As: BAS 00553125|AG-690/11451150|8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione|8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione|8-((3-chloro-2-hydroxypropyl)thio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione|8-(3-chloro-2-hydroxypropylthio)-3-methyl-7-(3-phenylpropyl)-1,3,7-trihydropur ine-2,6-dione

Molecular Formula	C18H21ClN4O3S
Molecular Weight	408.1023 g/mol
LogP	1.7479
Topological Polar Surface Area	92.91 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	408.1023
Monoisotopic Mass	408.1023
Heavy Atoms	27
Complexity	1028.7482

Chemical Identifiers

CAS Number	370070-75-0
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCCC3=CC=CC=C3