AC1MIGXB

1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione

Also Known As: 7-p-Toluoylmethyl-8-N-piperidinotheophylline|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methylphenyl)-2-oxoethyl)-8-(1-piperidinyl)-|3,7-Dihydro-1,3-dimethyl-7-(2-(p-tolyl)-2-oxoethyl)-8-(1-piperidinyl)-1H-purine-2,6-dione|1h-purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-8-|1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2- -8- -|1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione|1,3-Dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C21H25N5O3
Molecular Weight	395.19574 g/mol
LogP	1.61532
Topological Polar Surface Area	82.13 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	395.19574
Monoisotopic Mass	395.19574
Heavy Atoms	29
Complexity	1194.2552

Chemical Identifiers

CAS Number	96885-58-4
SMILES	CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C