AC1LKV94

7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione

Also Known As: BAS 00552993|AG-690/11451108|7-(3-chloro-2-butenyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione|7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-phenethylsulfanylpurine-2,6-dione|(Z)-7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione|7-[(2Z)-3-chloro-2-butenyl]-3-methyl-8-[(2-phenylethyl)thio]-3,7-dihydro-1H-purine-2,6-dione|7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C18H19ClN4O2S
Molecular Weight	390.09174 g/mol
LogP	2.9007
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	390.09174
Monoisotopic Mass	390.09174
Heavy Atoms	26
Complexity	1062.47

Chemical Identifiers

CAS Number	370076-83-8
SMILES	C/C(=C/CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C)/Cl