AC1MXLZM

7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Also Known As: Oprea1_634581|UPCMLD0ENAT5829982:001|7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione|AB00668559-01|F0570-0386|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione|7-(2-benzothiazol-2-ylsulfanylethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione|7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(4-phenylpiperazinyl)-1,3,7-tr ihydropurine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C26H27N7O2S2
Molecular Weight	533.16675 g/mol
LogP	3.1623
Topological Polar Surface Area	81.19 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	533.16675
Monoisotopic Mass	533.16675
Heavy Atoms	37
Complexity	1662.5609

Chemical Identifiers

CAS Number	501352-44-9
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6S5