7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione

7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione

Also Known As: Oprea1_151203|NCGC00034186-02|BAS 00964802|MLS-0018272.0001|MLS-0018272.0002|AB00407062-09|7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione|7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-methyl-xanthine|(E)-7-(but-2-en-1-yl)-8-((4-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-((E)-But-2-enyl)-8-(4-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione|7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione|7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylthio]-3-methylpurine-2,6-dione|7-But-2-enyl-8-(4-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione|7-((2E)but-2-enyl)-8-[(4-chlorophenyl)methylthio]-3-methyl-1,3,7-trihydropurin e-2,6-dione|7-[(2E)-but-2-en-1-yl]-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione|7-[(2E)-but-2-en-1-yl]-8-{[(4-chlorophenyl)methyl]sulfanyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C17H17ClN4O2S
Molecular Weight	376.07608 g/mol
LogP	2.9451
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	376.07608
Monoisotopic Mass	376.07608
Heavy Atoms	25
Complexity	1047.4255

Chemical Identifiers

CAS Number	1164542-33-9
SMILES	C/C=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C