AC1MYJS1

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

Also Known As: AB00435541-04|AB00435541-10|SR-01000013652-1|F1614-0142|3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3-methyl-7-[(4-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione|3-methyl-7-(4-methylbenzyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3,7-dihydro-1H-purine-2,6-dione|3-methyl-8-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|3-methyl-8-(5-methyl(1,3,4-thiadiazol-2-ylthio))-7-[(4-methylphenyl)methyl]-1, 3,7-trihydropurine-2,6-dione

Molecular Formula	C17H16N6O2S2
Molecular Weight	400.0776 g/mol
LogP	2.09114
Topological Polar Surface Area	98.46 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	400.0776
Monoisotopic Mass	400.0776
Heavy Atoms	27
Complexity	1249.3938

Chemical Identifiers

CAS Number	676154-76-0
SMILES	CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NN=C(S4)C)N(C(=O)NC3=O)C