AC1MGI8E

8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione

Also Known As: UPCMLD0ENAT5829939:001|AB00372601-02|8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione|F0570-0383|8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione|8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione|8-(4-ethylpiperazinyl)-1,3-dimethyl-7-[2-(5-methyl(1,3,4-thiadiazol-2-ylthio)) ethyl]-1,3,7-trihydropurine-2,6-dione

Molecular Formula	C18H26N8O2S2
Molecular Weight	450.16202 g/mol
LogP	0.52782
Topological Polar Surface Area	94.08 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	450.16202
Monoisotopic Mass	450.16202
Heavy Atoms	30
Complexity	1169.504

Chemical Identifiers

CAS Number	838875-52-8
SMILES	CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)N(C(=O)N3C)C