7-isopentyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione

3-methyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione

Also Known As: Oprea1_159250|Oprea1_778875|BAS 00383892|7-isopentyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione|AH-034/08818054|SR-01000398343-1|3-methyl-7-(3-methylbutyl)-8-phenacylsulfanylpurine-2,6-dione|F0017-1662|7-isopentyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|7-isopentyl-3-methyl-8-[(2-oxo-2-phenylethyl)thio]-3,7-dihydro-1H-purine-2,6-dione|3-Methyl-7-(3-methyl-butyl)-8-(2-oxo-2-phenyl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione|3-methyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3-methyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C19H22N4O3S
Molecular Weight	386.14127 g/mol
LogP	3.3
Topological Polar Surface Area	110.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	386.14127
Monoisotopic Mass	386.14127
Heavy Atoms	27
Complexity	579.0

Chemical Identifiers

CAS Number	313530-89-1
SMILES	CC(C)CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C
InChIKey	ATNRNWSYYOYWBC-UHFFFAOYSA-N