AC1MMU7S

7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_162995|UPCMLD0ENAT5829958:001|7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|AB00668580-01|F0570-0414|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione|7-(2-benzothiazol-2-ylthioethyl)-8-[4-(2-hydroxyethyl)piperazinyl]-1,3-dimethy l-1,3,7-trihydropurine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C22H27N7O3S2
Molecular Weight	501.16168 g/mol
LogP	0.95
Topological Polar Surface Area	101.42 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	501.16168
Monoisotopic Mass	501.16168
Heavy Atoms	34
Complexity	1413.7372

Chemical Identifiers

CAS Number	501352-48-3
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NC5=CC=CC=C5S4