AC1MVHIV

7-benzyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Also Known As: UPCMLD0ENAT5831736:001|NCGC00282258-01|AB01281398-01|7-benzyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione|7-benzyl-1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7-benzyl-8-(3-phenylpropylthio)-1,3,7-trihydropurine-2,6-dione|7-benzyl-1,3-dimethyl-8-((3-phenylpropyl)thio)-1H-purine-2,6(3H,7H)-dione|7-BENZYL-1,3-DIMETHYL-8-((3-PHENYLPROPYL)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|7-benzyl-1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C23H24N4O2S
Molecular Weight	420.162 g/mol
LogP	3.2069
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	420.162
Monoisotopic Mass	420.162
Heavy Atoms	30
Complexity	1274.0449

Chemical Identifiers

CAS Number	374097-66-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=CC=C4