AC1MXRME

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_193312|UPCMLD0ENAT5835069:001|7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|AB00668564-01|F0570-0394|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione|7-(2-benzooxazol-2-ylsulfanylethyl)-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione|7-(2-benzoxazol-2-ylthioethyl)-1,3-dimethyl-8-[4-benzylpiperazinyl]-1,3,7-trih ydropurine-2,6-dione|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C27H29N7O3S
Molecular Weight	531.20526 g/mol
LogP	2.6894
Topological Polar Surface Area	94.33 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	531.20526
Monoisotopic Mass	531.20526
Heavy Atoms	38
Complexity	1679.1754

Chemical Identifiers

CAS Number	501352-47-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5