AC1MO112

ethyl 4-[1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate

Also Known As: UPCMLD0ENAT5829922:001|F1614-0098|ethyl 4-(1,3-dimethyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate|ethyl 4-(1,3-dimethyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate|ethyl 4-[1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperazine-1-carboxylate|ethyl 4-{1,3-dimethyl-2,6-dioxo-7-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))eth yl]-1,3,7-trihydropurin-8-yl}piperazinecarboxylate

Molecular Formula	C23H28N10O4S
Molecular Weight	540.2016 g/mol
LogP	0.4802
Topological Polar Surface Area	138.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	540.2016
Monoisotopic Mass	540.2016
Heavy Atoms	38
Complexity	1566.7964

Chemical Identifiers

CAS Number	673496-53-2
SMILES	CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)N(C(=O)N3C)C